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elements.py
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elements.py
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# -*- coding: utf-8 -*-
# elements.py
# Copyright (c) 2005-2014, Christoph Gohlke
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are met:
#
# * Redistributions of source code must retain the above copyright
# notice, this list of conditions and the following disclaimer.
# * Redistributions in binary form must reproduce the above copyright
# notice, this list of conditions and the following disclaimer in the
# documentation and/or other materials provided with the distribution.
# * Neither the name of the copyright holders nor the names of any
# contributors may be used to endorse or promote products derived
# from this software without specific prior written permission.
#
# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
# AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
# IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
# ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE
# LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
# CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
# SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
# INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
# CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
# ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.
"""Properties of the chemical elements.
Each chemical element is represented as an object instance. Physicochemical
and descriptive properties of the elements are stored as instance attributes.
:Author: `Christoph Gohlke <http://www.lfd.uci.edu/~gohlke/>`_
:Version: 2013.03.18
Requirements
------------
* `CPython 2.7 or 3.3 <http://www.python.org>`_
References
----------
(1) http://physics.nist.gov/PhysRefData/Compositions/
(2) http://physics.nist.gov/PhysRefData/IonEnergy/tblNew.html
(3) http://en.wikipedia.org/wiki/%(element.name)s
(4) http://www.miranda.org/~jkominek/elements/elements.db
Examples
--------
>>> from elements import ELEMENTS
>>> len(ELEMENTS)
109
>>> str(ELEMENTS[109])
'Meitnerium'
>>> ele = ELEMENTS['C']
>>> ele.number, ele.symbol, ele.name, ele.eleconfig
(6, 'C', 'Carbon', '[He] 2s2 2p2')
>>> ele.eleconfig_dict
{(1, 's'): 2, (2, 'p'): 2, (2, 's'): 2}
>>> sum(ele.mass for ele in ELEMENTS)
14659.1115599
>>> for ele in ELEMENTS:
... ele.validate()
... ele = eval(repr(ele))
"""
from __future__ import division, print_function
__version__ = '2013.03.18'
__docformat__ = 'restructuredtext en'
__all__ = ['ELEMENTS']
class lazyattr(object):
"""Lazy object attribute whose value is computed on first access."""
__slots__ = ['func']
def __init__(self, func):
self.func = func
def __get__(self, instance, owner):
result = self.func(instance)
if result is NotImplemented:
return getattr(super(owner, instance), self.func.__name__)
setattr(instance, self.func.__name__, result)
return result
class Element(object):
"""Chemical element.
Attributes
----------
number : int
Atomic number
symbol : str of length 1 or 2
Chemical symbol
name : str
Name in english
group : int
Group in periodic table
period : int
Period in periodic table
block : int
Block in periodic table
series : int
Index to chemical series
protons : int
Number of protons
neutrons : int
Number of neutrons in the most abundant naturally occurring stable
isotope
nominalmass : int
Mass number of the most abundant naturally occurring stable isotope
electrons : int
Number of electrons
mass : float
Relative atomic mass. Ratio of the average mass of atoms
of the element to 1/12 of the mass of an atom of 12C
exactmass : float
Relative atomic mass calculated from the isotopic composition
eleneg : float
Electronegativity (Pauling scale)
covrad : float
Covalent radius in Angstrom
atmrad :
Atomic radius in Angstrom
vdwrad : float
Van der Waals radius in Angstrom
tboil : float
Boiling temperature in K
tmelt : float
Melting temperature in K
density : float
Density at 295K in g/cm3 respectively g/L
oxistates : str
Oxidation states
eleaffin : float
Electron affinity in eV
eleconfig : str
Ground state electron configuration
eleconfig_dict : dict
Ground state electron configuration (shell, subshell): electrons
eleshells : int
Number of electrons per shell
ionenergy : tuple
Ionization energies in eV
isotopes : dict
Isotopic composition.
keys: isotope mass number
values: Isotope(relative atomic mass, abundance)
"""
def __init__(self, number, symbol, name, **kwargs):
self.number = number
self.symbol = symbol
self.name = name
self.electrons = number
self.protons = number
self.__dict__.update(kwargs)
def __str__(self):
return self.name
def __repr__(self):
ionenergy = []
for i, j in enumerate(self.ionenergy):
if i and (i % 5 == 0):
ionenergy.append("\n" + " " * 15)
ionenergy.append("%s, " % j)
ionenergy = "".join(ionenergy)
isotopes = []
for massnum in sorted(self.isotopes):
iso = self.isotopes[massnum]
isotopes.append("%i: Isotope(%s, %s, %i)" % (
massnum, iso.mass, iso.abundance, massnum))
isotopes = ",\n ".join(isotopes)
description = word_wrap(self.description, linelen=66, indent=0,
joinstr=""" "\n \"""")
description = """ e['%s'].description = (\n "%s\")""" % (
self.symbol, description)
# return description
result = [
"Element(\n %i, '%s', '%s'" % (
self.number, self.symbol, self.name),
"group=%s, period=%s, block='%s', series=%i" % (
self.group, self.period, self.block, self.series),
"mass=%s, eleneg=%s, eleaffin=%s" % (
self.mass, self.eleneg, self.eleaffin),
"covrad=%s, atmrad=%s, vdwrad=%s" % (
self.covrad, self.atmrad, self.vdwrad),
"tboil=%s, tmelt=%s, density=%s" % (
self.tboil, self.tmelt, self.density),
"eleconfig='%s'" % self.eleconfig,
"oxistates='%s'" % self.oxistates,
"ionenergy=(%s)" % ionenergy,
"isotopes={%s})" % isotopes
]
return ",\n ".join(result)
@lazyattr
def nominalmass(self):
"""Return mass number of most abundant natural stable isotope."""
nominalmass = 0
maxabundance = 0
for massnum, iso in self.isotopes.items():
if iso.abundance > maxabundance:
maxabundance = iso.abundance
nominalmass = massnum
return nominalmass
@lazyattr
def neutrons(self):
"""Return number neutrons in most abundant natural stable isotope."""
return self.nominalmass - self.protons
@lazyattr
def exactmass(self):
"""Return relative atomic mass calculated from isotopic composition."""
return sum(iso.mass * iso.abundance for iso in self.isotopes.values())
@lazyattr
def eleconfig_dict(self):
"""Return electron configuration as dict."""
adict = {}
if self.eleconfig.startswith('['):
base = self.eleconfig.split(' ', 1)[0][1:-1]
adict.update(ELEMENTS[base].eleconfig_dict)
for e in self.eleconfig.split()[bool(adict):]:
adict[(int(e[0]), e[1])] = int(e[2:]) if len(e) > 2 else 1
return adict
@lazyattr
def eleshells(self):
"""Return number of electrons in shell as tuple."""
eleshells = [0, 0, 0, 0, 0, 0, 0]
for key, val in self.eleconfig_dict.items():
eleshells[key[0] - 1] += val
return tuple(ele for ele in eleshells if ele)
@lazyattr
def description(self):
"""Return text description of element."""
return _descriptions(self.symbol)
def validate(self):
"""Check consistency of data. Raise Error on failure."""
assert self.period in PERIODS
assert self.group in GROUPS
assert self.block in BLOCKS
assert self.series in SERIES
if self.number != self.protons:
raise ValueError(
"%s - atomic number must equal proton number" % self.symbol)
if self.protons != sum(self.eleshells):
raise ValueError(
"%s - number of protons must equal electrons" % self.symbol)
mass = 0.0
frac = 0.0
for iso in self.isotopes.values():
mass += iso.abundance * iso.mass
frac += iso.abundance
if abs(mass - self.mass) > 0.03:
raise ValueError(
"%s - average of isotope masses (%.4f) != mass (%.4f)" % (
self.symbol, mass, self.mass))
if abs(frac - 1.0) > 1e-9:
raise ValueError(
"%s - sum of isotope abundances != 1.0" % self.symbol)
class Isotope(object):
"""Isotope massnumber, relative atomic mass, and abundance."""
__slots__ = ['massnumber', 'mass', 'abundance']
def __init__(self, mass=0.0, abundance=1.0, massnumber=0):
self.mass = mass
self.abundance = abundance
self.massnumber = massnumber
def __str__(self):
return "%i, %.4f, %.6f%%" % (self.massnumber, self.mass,
self.abundance * 100)
def __repr__(self):
return "Isotope(%s, %s, %s)" % (
repr(self.mass), repr(self.abundance), repr(self.massnumber))
class ElementsDict(object):
"""Ordered dict of Elements with lookup by number, symbol, and name."""
def __init__(self, *elements):
self._list = []
self._dict = {}
for element in elements:
if element.number > len(self._list) + 1:
raise ValueError("Elements must be added in order")
if element.number <= len(self._list):
self._list[element.number - 1] = element
else:
self._list.append(element)
self._dict[element.number] = element
self._dict[element.symbol] = element
self._dict[element.name] = element
def __str__(self):
return "[%s]" % ", ".join(ele.symbol for ele in self._list)
def __contains__(self, item):
return item in self._dict
def __iter__(self):
return iter(self._list)
def __len__(self):
return len(self._list)
def __getitem__(self, key):
try:
return self._dict[key]
except KeyError:
try:
start, stop, step = key.indices(len(self._list))
return self._list[slice(start - 1, stop - 1, step)]
except:
raise KeyError
ELEMENTS = ElementsDict(
Element(
1, 'H', 'Hydrogen',
group=1, period=1, block='s', series=1,
mass=1.00794, eleneg=2.2, eleaffin=0.75420375,
covrad=0.32, atmrad=0.79, vdwrad=1.2,
tboil=20.28, tmelt=13.81, density=0.084,
eleconfig='1s',
oxistates='1*, -1',
ionenergy=(13.5984, ),
isotopes={1: Isotope(1.0078250321, 0.999885, 1),
2: Isotope(2.014101778, 0.000115, 2)}),
Element(
2, 'He', 'Helium',
group=18, period=1, block='s', series=2,
mass=4.002602, eleneg=0.0, eleaffin=0.0,
covrad=0.93, atmrad=0.49, vdwrad=1.4,
tboil=4.216, tmelt=0.95, density=0.1785,
eleconfig='1s2',
oxistates='*',
ionenergy=(24.5874, 54.416, ),
isotopes={3: Isotope(3.0160293097, 1.37e-06, 3),
4: Isotope(4.0026032497, 0.99999863, 4)}),
Element(
3, 'Li', 'Lithium',
group=1, period=2, block='s', series=3,
mass=6.941, eleneg=0.98, eleaffin=0.618049,
covrad=1.23, atmrad=2.05, vdwrad=1.82,
tboil=1615.0, tmelt=453.7, density=0.53,
eleconfig='[He] 2s',
oxistates='1*',
ionenergy=(5.3917, 75.638, 122.451, ),
isotopes={6: Isotope(6.0151223, 0.0759, 6),
7: Isotope(7.016004, 0.9241, 7)}),
Element(
4, 'Be', 'Beryllium',
group=2, period=2, block='s', series=4,
mass=9.012182, eleneg=1.57, eleaffin=0.0,
covrad=0.9, atmrad=1.4, vdwrad=0.0,
tboil=3243.0, tmelt=1560.0, density=1.85,
eleconfig='[He] 2s2',
oxistates='2*',
ionenergy=(9.3227, 18.211, 153.893, 217.713, ),
isotopes={9: Isotope(9.0121821, 1.0, 9)}),
Element(
5, 'B', 'Boron',
group=13, period=2, block='p', series=5,
mass=10.811, eleneg=2.04, eleaffin=0.279723,
covrad=0.82, atmrad=1.17, vdwrad=0.0,
tboil=4275.0, tmelt=2365.0, density=2.46,
eleconfig='[He] 2s2 2p',
oxistates='3*',
ionenergy=(8.298, 25.154, 37.93, 59.368, 340.217, ),
isotopes={10: Isotope(10.012937, 0.199, 10),
11: Isotope(11.0093055, 0.801, 11)}),
Element(
6, 'C', 'Carbon',
group=14, period=2, block='p', series=1,
mass=12.0107, eleneg=2.55, eleaffin=1.262118,
covrad=0.77, atmrad=0.91, vdwrad=1.7,
tboil=5100.0, tmelt=3825.0, density=3.51,
eleconfig='[He] 2s2 2p2',
oxistates='4*, 2, -4*',
ionenergy=(11.2603, 24.383, 47.877, 64.492, 392.077,
489.981, ),
isotopes={12: Isotope(12.0, 0.9893, 12),
13: Isotope(13.0033548378, 0.0107, 13)}),
Element(
7, 'N', 'Nitrogen',
group=15, period=2, block='p', series=1,
mass=14.0067, eleneg=3.04, eleaffin=-0.07,
covrad=0.75, atmrad=0.75, vdwrad=1.55,
tboil=77.344, tmelt=63.15, density=1.17,
eleconfig='[He] 2s2 2p3',
oxistates='5, 4, 3, 2, -3*',
ionenergy=(14.5341, 39.601, 47.488, 77.472, 97.888,
522.057, 667.029, ),
isotopes={14: Isotope(14.0030740052, 0.99632, 14),
15: Isotope(15.0001088984, 0.00368, 15)}),
Element(
8, 'O', 'Oxygen',
group=16, period=2, block='p', series=1,
mass=15.9994, eleneg=3.44, eleaffin=1.461112,
covrad=0.73, atmrad=0.65, vdwrad=1.52,
tboil=90.188, tmelt=54.8, density=1.33,
eleconfig='[He] 2s2 2p4',
oxistates='-2*, -1',
ionenergy=(13.6181, 35.116, 54.934, 54.934, 77.412,
113.896, 138.116, 739.315, 871.387, ),
isotopes={16: Isotope(15.9949146221, 0.99757, 16),
17: Isotope(16.9991315, 0.00038, 17),
18: Isotope(17.9991604, 0.00205, 18)}),
Element(
9, 'F', 'Fluorine',
group=17, period=2, block='p', series=6,
mass=18.9984032, eleneg=3.98, eleaffin=3.4011887,
covrad=0.72, atmrad=0.57, vdwrad=1.47,
tboil=85.0, tmelt=53.55, density=1.58,
eleconfig='[He] 2s2 2p5',
oxistates='-1*',
ionenergy=(17.4228, 34.97, 62.707, 87.138, 114.24,
157.161, 185.182, 953.886, 1103.089, ),
isotopes={19: Isotope(18.9984032, 1.0, 19)}),
Element(
10, 'Ne', 'Neon',
group=18, period=2, block='p', series=2,
mass=20.1797, eleneg=0.0, eleaffin=0.0,
covrad=0.71, atmrad=0.51, vdwrad=1.54,
tboil=27.1, tmelt=24.55, density=0.8999,
eleconfig='[He] 2s2 2p6',
oxistates='*',
ionenergy=(21.5645, 40.962, 63.45, 97.11, 126.21,
157.93, 207.27, 239.09, 1195.797, 1362.164, ),
isotopes={20: Isotope(19.9924401759, 0.9048, 20),
21: Isotope(20.99384674, 0.0027, 21),
22: Isotope(21.99138551, 0.0925, 22)}),
Element(
11, 'Na', 'Sodium',
group=1, period=3, block='s', series=3,
mass=22.98977, eleneg=0.93, eleaffin=0.547926,
covrad=1.54, atmrad=2.23, vdwrad=2.27,
tboil=1156.0, tmelt=371.0, density=0.97,
eleconfig='[Ne] 3s',
oxistates='1*',
ionenergy=(5.1391, 47.286, 71.64, 98.91, 138.39,
172.15, 208.47, 264.18, 299.87, 1465.091,
1648.659, ),
isotopes={23: Isotope(22.98976967, 1.0, 23)}),
Element(
12, 'Mg', 'Magnesium',
group=2, period=3, block='s', series=4,
mass=24.305, eleneg=1.31, eleaffin=0.0,
covrad=1.36, atmrad=1.72, vdwrad=1.73,
tboil=1380.0, tmelt=922.0, density=1.74,
eleconfig='[Ne] 3s2',
oxistates='2*',
ionenergy=(7.6462, 15.035, 80.143, 109.24, 141.26,
186.5, 224.94, 265.9, 327.95, 367.53,
1761.802, 1962.613, ),
isotopes={24: Isotope(23.9850419, 0.7899, 24),
25: Isotope(24.98583702, 0.1, 25),
26: Isotope(25.98259304, 0.1101, 26)}),
Element(
13, 'Al', 'Aluminium',
group=13, period=3, block='p', series=7,
mass=26.981538, eleneg=1.61, eleaffin=0.43283,
covrad=1.18, atmrad=1.82, vdwrad=0.0,
tboil=2740.0, tmelt=933.5, density=2.7,
eleconfig='[Ne] 3s2 3p',
oxistates='3*',
ionenergy=(5.9858, 18.828, 28.447, 119.99, 153.71,
190.47, 241.43, 284.59, 330.21, 398.57,
442.07, 2085.983, 2304.08, ),
isotopes={27: Isotope(26.98153844, 1.0, 27)}),
Element(
14, 'Si', 'Silicon',
group=14, period=3, block='p', series=5,
mass=28.0855, eleneg=1.9, eleaffin=1.389521,
covrad=1.11, atmrad=1.46, vdwrad=2.1,
tboil=2630.0, tmelt=1683.0, density=2.33,
eleconfig='[Ne] 3s2 3p2',
oxistates='4*, -4',
ionenergy=(8.1517, 16.345, 33.492, 45.141, 166.77,
205.05, 246.52, 303.17, 351.1, 401.43,
476.06, 523.5, 2437.676, 2673.108, ),
isotopes={28: Isotope(27.9769265327, 0.922297, 28),
29: Isotope(28.97649472, 0.046832, 29),
30: Isotope(29.97377022, 0.030871, 30)}),
Element(
15, 'P', 'Phosphorus',
group=15, period=3, block='p', series=1,
mass=30.973761, eleneg=2.19, eleaffin=0.7465,
covrad=1.06, atmrad=1.23, vdwrad=1.8,
tboil=553.0, tmelt=317.3, density=1.82,
eleconfig='[Ne] 3s2 3p3',
oxistates='5*, 3, -3',
ionenergy=(10.4867, 19.725, 30.18, 51.37, 65.023,
220.43, 263.22, 309.41, 371.73, 424.5,
479.57, 560.41, 611.85, 2816.943, 3069.762, ),
isotopes={31: Isotope(30.97376151, 1.0, 31)}),
Element(
16, 'S', 'Sulfur',
group=16, period=3, block='p', series=1,
mass=32.065, eleneg=2.58, eleaffin=2.0771029,
covrad=1.02, atmrad=1.09, vdwrad=1.8,
tboil=717.82, tmelt=392.2, density=2.06,
eleconfig='[Ne] 3s2 3p4',
oxistates='6*, 4, 2, -2',
ionenergy=(10.36, 23.33, 34.83, 47.3, 72.68,
88.049, 280.93, 328.23, 379.1, 447.09,
504.78, 564.65, 651.63, 707.14, 3223.836,
3494.099, ),
isotopes={32: Isotope(31.97207069, 0.9493, 32),
33: Isotope(32.9714585, 0.0076, 33),
34: Isotope(33.96786683, 0.0429, 34),
36: Isotope(35.96708088, 0.0002, 36)}),
Element(
17, 'Cl', 'Chlorine',
group=17, period=3, block='p', series=6,
mass=35.453, eleneg=3.16, eleaffin=3.612724,
covrad=0.99, atmrad=0.97, vdwrad=1.75,
tboil=239.18, tmelt=172.17, density=2.95,
eleconfig='[Ne] 3s2 3p5',
oxistates='7, 5, 3, 1, -1*',
ionenergy=(12.9676, 23.81, 39.61, 53.46, 67.8,
98.03, 114.193, 348.28, 400.05, 455.62,
529.97, 591.97, 656.69, 749.75, 809.39,
3658.425, 3946.193, ),
isotopes={35: Isotope(34.96885271, 0.7578, 35),
37: Isotope(36.9659026, 0.2422, 37)}),
Element(
18, 'Ar', 'Argon',
group=18, period=3, block='p', series=2,
mass=39.948, eleneg=0.0, eleaffin=0.0,
covrad=0.98, atmrad=0.88, vdwrad=1.88,
tboil=87.45, tmelt=83.95, density=1.66,
eleconfig='[Ne] 3s2 3p6',
oxistates='*',
ionenergy=(15.7596, 27.629, 40.74, 59.81, 75.02,
91.007, 124.319, 143.456, 422.44, 478.68,
538.95, 618.24, 686.09, 755.73, 854.75,
918.0, 4120.778, 4426.114, ),
isotopes={36: Isotope(35.96754628, 0.003365, 36),
38: Isotope(37.9627322, 0.000632, 38),
40: Isotope(39.962383123, 0.996003, 40)}),
Element(
19, 'K', 'Potassium',
group=1, period=4, block='s', series=3,
mass=39.0983, eleneg=0.82, eleaffin=0.501459,
covrad=2.03, atmrad=2.77, vdwrad=2.75,
tboil=1033.0, tmelt=336.8, density=0.86,
eleconfig='[Ar] 4s',
oxistates='1*',
ionenergy=(4.3407, 31.625, 45.72, 60.91, 82.66,
100.0, 117.56, 154.86, 175.814, 503.44,
564.13, 629.09, 714.02, 787.13, 861.77,
968.0, 1034.0, 4610.955, 4933.931, ),
isotopes={39: Isotope(38.9637069, 0.932581, 39),
40: Isotope(39.96399867, 0.000117, 40),
41: Isotope(40.96182597, 0.067302, 41)}),
Element(
20, 'Ca', 'Calcium',
group=2, period=4, block='s', series=4,
mass=40.078, eleneg=1.0, eleaffin=0.02455,
covrad=1.74, atmrad=2.23, vdwrad=0.0,
tboil=1757.0, tmelt=1112.0, density=1.54,
eleconfig='[Ar] 4s2',
oxistates='2*',
ionenergy=(6.1132, 11.71, 50.908, 67.1, 84.41,
108.78, 127.7, 147.24, 188.54, 211.27,
591.25, 656.39, 726.03, 816.61, 895.12,
974.0, 1087.0, 1157.0, 5129.045, 5469.738, ),
isotopes={40: Isotope(39.9625912, 0.96941, 40),
42: Isotope(41.9586183, 0.00647, 42),
43: Isotope(42.9587668, 0.00135, 43),
44: Isotope(43.9554811, 0.02086, 44),
46: Isotope(45.9536928, 4e-05, 46),
48: Isotope(47.952534, 0.00187, 48)}),
Element(
21, 'Sc', 'Scandium',
group=3, period=4, block='d', series=8,
mass=44.95591, eleneg=1.36, eleaffin=0.188,
covrad=1.44, atmrad=2.09, vdwrad=0.0,
tboil=3109.0, tmelt=1814.0, density=2.99,
eleconfig='[Ar] 3d 4s2',
oxistates='3*',
ionenergy=(6.5615, 12.8, 24.76, 73.47, 91.66,
11.1, 138.0, 158.7, 180.02, 225.32,
225.32, 685.89, 755.47, 829.79, 926.0, ),
isotopes={45: Isotope(44.9559102, 1.0, 45)}),
Element(
22, 'Ti', 'Titanium',
group=4, period=4, block='d', series=8,
mass=47.867, eleneg=1.54, eleaffin=0.084,
covrad=1.32, atmrad=2.0, vdwrad=0.0,
tboil=3560.0, tmelt=1935.0, density=4.51,
eleconfig='[Ar] 3d2 4s2',
oxistates='4*, 3',
ionenergy=(6.8281, 13.58, 27.491, 43.266, 99.22,
119.36, 140.8, 168.5, 193.5, 193.2,
215.91, 265.23, 291.497, 787.33, 861.33, ),
isotopes={46: Isotope(45.9526295, 0.0825, 46),
47: Isotope(46.9517638, 0.0744, 47),
48: Isotope(47.9479471, 0.7372, 48),
49: Isotope(48.9478708, 0.0541, 49),
50: Isotope(49.9447921, 0.0518, 50)}),
Element(
23, 'V', 'Vanadium',
group=5, period=4, block='d', series=8,
mass=50.9415, eleneg=1.63, eleaffin=0.525,
covrad=1.22, atmrad=1.92, vdwrad=0.0,
tboil=3650.0, tmelt=2163.0, density=6.09,
eleconfig='[Ar] 3d3 4s2',
oxistates='5*, 4, 3, 2, 0',
ionenergy=(6.7462, 14.65, 29.31, 46.707, 65.23,
128.12, 150.17, 173.7, 205.8, 230.5,
255.04, 308.25, 336.267, 895.58, 974.02, ),
isotopes={50: Isotope(49.9471628, 0.0025, 50),
51: Isotope(50.9439637, 0.9975, 51)}),
Element(
24, 'Cr', 'Chromium',
group=6, period=4, block='d', series=8,
mass=51.9961, eleneg=1.66, eleaffin=0.67584,
covrad=1.18, atmrad=1.85, vdwrad=0.0,
tboil=2945.0, tmelt=2130.0, density=7.14,
eleconfig='[Ar] 3d5 4s',
oxistates='6, 3*, 2, 0',
ionenergy=(6.7665, 16.5, 30.96, 49.1, 69.3,
90.56, 161.1, 184.7, 209.3, 244.4,
270.8, 298.0, 355.0, 384.3, 1010.64, ),
isotopes={50: Isotope(49.9460496, 0.04345, 50),
52: Isotope(51.9405119, 0.83789, 52),
53: Isotope(52.9406538, 0.09501, 53),
54: Isotope(53.9388849, 0.02365, 54)}),
Element(
25, 'Mn', 'Manganese',
group=7, period=4, block='d', series=8,
mass=54.938049, eleneg=1.55, eleaffin=0.0,
covrad=1.17, atmrad=1.79, vdwrad=0.0,
tboil=2235.0, tmelt=1518.0, density=7.44,
eleconfig='[Ar] 3d5 4s2',
oxistates='7, 6, 4, 3, 2*, 0, -1',
ionenergy=(7.434, 15.64, 33.667, 51.2, 72.4,
95.0, 119.27, 196.46, 221.8, 248.3,
286.0, 314.4, 343.6, 404.0, 435.3,
1136.2, ),
isotopes={55: Isotope(54.9380496, 1.0, 55)}),
Element(
26, 'Fe', 'Iron',
group=8, period=4, block='d', series=8,
mass=55.845, eleneg=1.83, eleaffin=0.151,
covrad=1.17, atmrad=1.72, vdwrad=0.0,
tboil=3023.0, tmelt=1808.0, density=7.874,
eleconfig='[Ar] 3d6 4s2',
oxistates='6, 3*, 2, 0, -2',
ionenergy=(7.9024, 16.18, 30.651, 54.8, 75.0,
99.0, 125.0, 151.06, 235.04, 262.1,
290.4, 330.8, 361.0, 392.2, 457.0,
485.5, 1266.1, ),
isotopes={54: Isotope(53.9396148, 0.05845, 54),
56: Isotope(55.9349421, 0.91754, 56),
57: Isotope(56.9353987, 0.02119, 57),
58: Isotope(57.9332805, 0.00282, 58)}),
Element(
27, 'Co', 'Cobalt',
group=9, period=4, block='d', series=8,
mass=58.9332, eleneg=1.88, eleaffin=0.6633,
covrad=1.16, atmrad=1.67, vdwrad=0.0,
tboil=3143.0, tmelt=1768.0, density=8.89,
eleconfig='[Ar] 3d7 4s2',
oxistates='3, 2*, 0, -1',
ionenergy=(7.881, 17.06, 33.5, 51.3, 79.5,
102.0, 129.0, 157.0, 186.13, 276.0,
305.0, 336.0, 376.0, 411.0, 444.0,
512.0, 546.8, 1403.0, ),
isotopes={59: Isotope(58.9332002, 1.0, 59)}),
Element(
28, 'Ni', 'Nickel',
group=10, period=4, block='d', series=8,
mass=58.6934, eleneg=1.91, eleaffin=1.15716,
covrad=1.15, atmrad=1.62, vdwrad=1.63,
tboil=3005.0, tmelt=1726.0, density=8.91,
eleconfig='[Ar] 3d8 4s2',
oxistates='3, 2*, 0',
ionenergy=(7.6398, 18.168, 35.17, 54.9, 75.5,
108.0, 133.0, 162.0, 193.0, 224.5,
321.2, 352.0, 384.0, 430.0, 464.0,
499.0, 571.0, 607.2, 1547.0, ),
isotopes={58: Isotope(57.9353479, 0.680769, 58),
60: Isotope(59.9307906, 0.262231, 60),
61: Isotope(60.9310604, 0.011399, 61),
62: Isotope(61.9283488, 0.036345, 62),
64: Isotope(63.9279696, 0.009256, 64)}),
Element(
29, 'Cu', 'Copper',
group=11, period=4, block='d', series=8,
mass=63.546, eleneg=1.9, eleaffin=1.23578,
covrad=1.17, atmrad=1.57, vdwrad=1.4,
tboil=2840.0, tmelt=1356.6, density=8.92,
eleconfig='[Ar] 3d10 4s',
oxistates='2*, 1',
ionenergy=(7.7264, 20.292, 26.83, 55.2, 79.9,
103.0, 139.0, 166.0, 199.0, 232.0,
266.0, 368.8, 401.0, 435.0, 484.0,
520.0, 557.0, 633.0, 671.0, 1698.0, ),
isotopes={63: Isotope(62.9296011, 0.6917, 63),
65: Isotope(64.9277937, 0.3083, 65)}),
Element(
30, 'Zn', 'Zinc',
group=12, period=4, block='d', series=8,
mass=65.409, eleneg=1.65, eleaffin=0.0,
covrad=1.25, atmrad=1.53, vdwrad=1.39,
tboil=1180.0, tmelt=692.73, density=7.14,
eleconfig='[Ar] 3d10 4s2',
oxistates='2*',
ionenergy=(9.3942, 17.964, 39.722, 59.4, 82.6,
108.0, 134.0, 174.0, 203.0, 238.0,
274.0, 310.8, 419.7, 454.0, 490.0,
542.0, 579.0, 619.0, 698.8, 738.0,
1856.0, ),
isotopes={64: Isotope(63.9291466, 0.4863, 64),
66: Isotope(65.9260368, 0.279, 66),
67: Isotope(66.9271309, 0.041, 67),
68: Isotope(67.9248476, 0.1875, 68),
70: Isotope(69.925325, 0.0062, 70)}),
Element(
31, 'Ga', 'Gallium',
group=13, period=4, block='p', series=7,
mass=69.723, eleneg=1.81, eleaffin=0.41,
covrad=1.26, atmrad=1.81, vdwrad=1.87,
tboil=2478.0, tmelt=302.92, density=5.91,
eleconfig='[Ar] 3d10 4s2 4p',
oxistates='3*',
ionenergy=(5.9993, 20.51, 30.71, 64.0, ),
isotopes={69: Isotope(68.925581, 0.60108, 69),
71: Isotope(70.924705, 0.39892, 71)}),
Element(
32, 'Ge', 'Germanium',
group=14, period=4, block='p', series=5,
mass=72.64, eleneg=2.01, eleaffin=1.232712,
covrad=1.22, atmrad=1.52, vdwrad=0.0,
tboil=3107.0, tmelt=1211.5, density=5.32,
eleconfig='[Ar] 3d10 4s2 4p2',
oxistates='4*',
ionenergy=(7.8994, 15.934, 34.22, 45.71, 93.5, ),
isotopes={70: Isotope(69.9242504, 0.2084, 70),
72: Isotope(71.9220762, 0.2754, 72),
73: Isotope(72.9234594, 0.0773, 73),
74: Isotope(73.9211782, 0.3628, 74),
76: Isotope(75.9214027, 0.0761, 76)}),
Element(
33, 'As', 'Arsenic',
group=15, period=4, block='p', series=5,
mass=74.9216, eleneg=2.18, eleaffin=0.814,
covrad=1.2, atmrad=1.33, vdwrad=1.85,
tboil=876.0, tmelt=1090.0, density=5.72,
eleconfig='[Ar] 3d10 4s2 4p3',
oxistates='5, 3*, -3',
ionenergy=(9.7886, 18.633, 28.351, 50.13, 62.63,
127.6, ),
isotopes={75: Isotope(74.9215964, 1.0, 75)}),
Element(
34, 'Se', 'Selenium',
group=16, period=4, block='p', series=1,
mass=78.96, eleneg=2.55, eleaffin=2.02067,
covrad=1.16, atmrad=1.22, vdwrad=1.9,
tboil=958.0, tmelt=494.0, density=4.82,
eleconfig='[Ar] 3d10 4s2 4p4',
oxistates='6, 4*, -2',
ionenergy=(9.7524, 21.9, 30.82, 42.944, 68.3,
81.7, 155.4, ),
isotopes={74: Isotope(73.9224766, 0.0089, 74),
76: Isotope(75.9192141, 0.0937, 76),
77: Isotope(76.9199146, 0.0763, 77),
78: Isotope(77.9173095, 0.2377, 78),
80: Isotope(79.9165218, 0.4961, 80),
82: Isotope(81.9167, 0.0873, 82)}),
Element(
35, 'Br', 'Bromine',
group=17, period=4, block='p', series=6,
mass=79.904, eleneg=2.96, eleaffin=3.363588,
covrad=1.14, atmrad=1.12, vdwrad=1.85,
tboil=331.85, tmelt=265.95, density=3.14,
eleconfig='[Ar] 3d10 4s2 4p5',
oxistates='7, 5, 3, 1, -1*',
ionenergy=(11.8138, 21.8, 36.0, 47.3, 59.7,
88.6, 103.0, 192.8, ),
isotopes={79: Isotope(78.9183376, 0.5069, 79),
81: Isotope(80.916291, 0.4931, 81)}),
Element(
36, 'Kr', 'Krypton',
group=18, period=4, block='p', series=2,
mass=83.798, eleneg=0.0, eleaffin=0.0,
covrad=1.12, atmrad=1.03, vdwrad=2.02,
tboil=120.85, tmelt=116.0, density=4.48,
eleconfig='[Ar] 3d10 4s2 4p6',
oxistates='2*',
ionenergy=(13.9996, 24.359, 36.95, 52.5, 64.7,
78.5, 110.0, 126.0, 230.39, ),
isotopes={78: Isotope(77.920386, 0.0035, 78),
80: Isotope(79.916378, 0.0228, 80),
82: Isotope(81.9134846, 0.1158, 82),
83: Isotope(82.914136, 0.1149, 83),
84: Isotope(83.911507, 0.57, 84),
86: Isotope(85.9106103, 0.173, 86)}),
Element(
37, 'Rb', 'Rubidium',
group=1, period=5, block='s', series=3,
mass=85.4678, eleneg=0.82, eleaffin=0.485916,
covrad=2.16, atmrad=2.98, vdwrad=0.0,
tboil=961.0, tmelt=312.63, density=1.53,
eleconfig='[Kr] 5s',
oxistates='1*',
ionenergy=(4.1771, 27.28, 40.0, 52.6, 71.0,
84.4, 99.2, 136.0, 150.0, 277.1, ),
isotopes={85: Isotope(84.9117893, 0.7217, 85),
87: Isotope(86.9091835, 0.2783, 87)}),
Element(
38, 'Sr', 'Strontium',
group=2, period=5, block='s', series=4,
mass=87.62, eleneg=0.95, eleaffin=0.05206,
covrad=1.91, atmrad=2.45, vdwrad=0.0,
tboil=1655.0, tmelt=1042.0, density=2.63,
eleconfig='[Kr] 5s2',
oxistates='2*',
ionenergy=(5.6949, 11.03, 43.6, 57.0, 71.6,
90.8, 106.0, 122.3, 162.0, 177.0,
324.1, ),
isotopes={84: Isotope(83.913425, 0.0056, 84),
86: Isotope(85.9092624, 0.0986, 86),
87: Isotope(86.9088793, 0.07, 87),
88: Isotope(87.9056143, 0.8258, 88)}),
Element(
39, 'Y', 'Yttrium',
group=3, period=5, block='d', series=8,
mass=88.90585, eleneg=1.22, eleaffin=0.307,
covrad=1.62, atmrad=2.27, vdwrad=0.0,
tboil=3611.0, tmelt=1795.0, density=4.47,
eleconfig='[Kr] 4d 5s2',
oxistates='3*',
ionenergy=(6.2173, 12.24, 20.52, 61.8, 77.0,
93.0, 116.0, 129.0, 146.52, 191.0,
206.0, 374.0, ),
isotopes={89: Isotope(88.9058479, 1.0, 89)}),
Element(
40, 'Zr', 'Zirconium',
group=4, period=5, block='d', series=8,
mass=91.224, eleneg=1.33, eleaffin=0.426,
covrad=1.45, atmrad=2.16, vdwrad=0.0,
tboil=4682.0, tmelt=2128.0, density=6.51,
eleconfig='[Kr] 4d2 5s2',
oxistates='4*',
ionenergy=(6.6339, 13.13, 22.99, 34.34, 81.5, ),
isotopes={90: Isotope(89.9047037, 0.5145, 90),
91: Isotope(90.905645, 0.1122, 91),
92: Isotope(91.9050401, 0.1715, 92),
94: Isotope(93.9063158, 0.1738, 94),
96: Isotope(95.908276, 0.028, 96)}),
Element(
41, 'Nb', 'Niobium',
group=5, period=5, block='d', series=8,
mass=92.90638, eleneg=1.6, eleaffin=0.893,
covrad=1.34, atmrad=2.08, vdwrad=0.0,
tboil=5015.0, tmelt=2742.0, density=8.58,
eleconfig='[Kr] 4d4 5s',
oxistates='5*, 3',
ionenergy=(6.7589, 14.32, 25.04, 38.3, 50.55,
102.6, 125.0, ),
isotopes={93: Isotope(92.9063775, 1.0, 93)}),
Element(
42, 'Mo', 'Molybdenum',
group=6, period=5, block='d', series=8,
mass=95.94, eleneg=2.16, eleaffin=0.7472,
covrad=1.3, atmrad=2.01, vdwrad=0.0,
tboil=4912.0, tmelt=2896.0, density=10.28,
eleconfig='[Kr] 4d5 5s',
oxistates='6*, 5, 4, 3, 2, 0',
ionenergy=(7.0924, 16.15, 27.16, 46.4, 61.2,
68.0, 126.8, 153.0, ),
isotopes={92: Isotope(91.90681, 0.1484, 92),
94: Isotope(93.9050876, 0.0925, 94),
95: Isotope(94.9058415, 0.1592, 95),
96: Isotope(95.9046789, 0.1668, 96),
97: Isotope(96.906021, 0.0955, 97),
98: Isotope(97.9054078, 0.2413, 98),
100: Isotope(99.907477, 0.0963, 100)}),
Element(
43, 'Tc', 'Technetium',
group=7, period=5, block='d', series=8,
mass=97.907216, eleneg=1.9, eleaffin=0.55,
covrad=1.27, atmrad=1.95, vdwrad=0.0,
tboil=4538.0, tmelt=2477.0, density=11.49,
eleconfig='[Kr] 4d5 5s2',
oxistates='7*',
ionenergy=(7.28, 15.26, 29.54, ),
isotopes={98: Isotope(97.907216, 1.0, 98)}),
Element(
44, 'Ru', 'Ruthenium',
group=8, period=5, block='d', series=8,
mass=101.07, eleneg=2.2, eleaffin=1.04638,
covrad=1.25, atmrad=1.89, vdwrad=0.0,
tboil=4425.0, tmelt=2610.0, density=12.45,
eleconfig='[Kr] 4d7 5s',
oxistates='8, 6, 4*, 3*, 2, 0, -2',
ionenergy=(7.3605, 16.76, 28.47, ),
isotopes={96: Isotope(95.907598, 0.0554, 96),
98: Isotope(97.905287, 0.0187, 98),
99: Isotope(98.9059393, 0.1276, 99),
100: Isotope(99.9042197, 0.126, 100),
101: Isotope(100.9055822, 0.1706, 101),
102: Isotope(101.9043495, 0.3155, 102),
104: Isotope(103.90543, 0.1862, 104)}),
Element(
45, 'Rh', 'Rhodium',
group=9, period=5, block='d', series=8,
mass=102.9055, eleneg=2.28, eleaffin=1.14289,
covrad=1.25, atmrad=1.83, vdwrad=0.0,
tboil=3970.0, tmelt=2236.0, density=12.41,
eleconfig='[Kr] 4d8 5s',
oxistates='5, 4, 3*, 1*, 2, 0',
ionenergy=(7.4589, 18.08, 31.06, ),
isotopes={103: Isotope(102.905504, 1.0, 103)}),
Element(
46, 'Pd', 'Palladium',
group=10, period=5, block='d', series=8,
mass=106.42, eleneg=2.2, eleaffin=0.56214,
covrad=1.28, atmrad=1.79, vdwrad=1.63,
tboil=3240.0, tmelt=1825.0, density=12.02,
eleconfig='[Kr] 4d10',
oxistates='4, 2*, 0',
ionenergy=(8.3369, 19.43, 32.93, ),
isotopes={102: Isotope(101.905608, 0.0102, 102),
104: Isotope(103.904035, 0.1114, 104),
105: Isotope(104.905084, 0.2233, 105),
106: Isotope(105.903483, 0.2733, 106),
108: Isotope(107.903894, 0.2646, 108),
110: Isotope(109.905152, 0.1172, 110)}),
Element(
47, 'Ag', 'Silver',
group=11, period=5, block='d', series=8,
mass=107.8682, eleneg=1.93, eleaffin=1.30447,
covrad=1.34, atmrad=1.75, vdwrad=1.72,
tboil=2436.0, tmelt=1235.1, density=10.49,
eleconfig='[Kr] 4d10 5s',
oxistates='2, 1*',
ionenergy=(7.5762, 21.49, 34.83, ),
isotopes={107: Isotope(106.905093, 0.51839, 107),
109: Isotope(108.904756, 0.48161, 109)}),
Element(
48, 'Cd', 'Cadmium',
group=12, period=5, block='d', series=8,
mass=112.411, eleneg=1.69, eleaffin=0.0,
covrad=1.48, atmrad=1.71, vdwrad=1.58,
tboil=1040.0, tmelt=594.26, density=8.64,
eleconfig='[Kr] 4d10 5s2',
oxistates='2*',
ionenergy=(8.9938, 16.908, 37.48, ),
isotopes={106: Isotope(105.906458, 0.0125, 106),
108: Isotope(107.904183, 0.0089, 108),
110: Isotope(109.903006, 0.1249, 110),
111: Isotope(110.904182, 0.128, 111),
112: Isotope(111.9027572, 0.2413, 112),
113: Isotope(112.9044009, 0.1222, 113),
114: Isotope(113.9033581, 0.2873, 114),
116: Isotope(115.904755, 0.0749, 116)}),
Element(
49, 'In', 'Indium',
group=13, period=5, block='p', series=7,
mass=114.818, eleneg=1.78, eleaffin=0.404,
covrad=1.44, atmrad=2.0, vdwrad=1.93,
tboil=2350.0, tmelt=429.78, density=7.31,
eleconfig='[Kr] 4d10 5s2 5p',
oxistates='3*',
ionenergy=(5.7864, 18.869, 28.03, 28.03, ),
isotopes={113: Isotope(112.904061, 0.0429, 113),
115: Isotope(114.903878, 0.9571, 115)}),
Element(
50, 'Sn', 'Tin',
group=14, period=5, block='p', series=7,
mass=118.71, eleneg=1.96, eleaffin=1.112066,
covrad=1.41, atmrad=1.72, vdwrad=2.17,
tboil=2876.0, tmelt=505.12, density=7.29,
eleconfig='[Kr] 4d10 5s2 5p2',