##
# SPDX-License-Identifier: CC0-1.0
##
##
#
# This file contains atom properties such as atom formal charges and oxidation
# states compiled from the com.actelion.research.chem.Molecule.java class of
# the OpenChemLib framework, version 2022.11.1 [1]. Note, that the original
# resource which served as a source of oxidation states for OpenChemLib is no
# longer publicly available, however, the archival copy is still accessible [2].
#
# [1] https://raw.githubusercontent.com/Actelion/openchemlib/2de8ed734271d2d0ff1cdd54c1e8267c628e0e74/src/main/java/com/actelion/research/chem/Molecule.java
# [2] https://web.archive.org/web/20191126105236/http://www.cabrillo.edu/~aromero/Common%20Files/Periodic%20Table%20(Common%20Ionic%20Charges).pdf
#
# The serialised data structure use element symbols as keys. Each element
# description contains the following fields:
#
# - atomic_number:
#       The atomic number of the element as given in the Periodic Table.
# - name:
#       The name of the element as given in the Periodic Table.
# - is_considered_metal:
#       Boolean flag which denotes if the element is classified as a metal
#       during calculations.
# - oxidation_state:
#       An array of known oxidation states for the given element. A null value
#       indicates that no values for the element were provided.
# - valence
#       An array of known valencies for the given element. A null value
#       indicates that no values for the element were provided.
##
---
"H":
  atomic_number: 1
  name: Hydrogen
  is_considered_metal: false
  oxidation_state:
    - 1
  valence:
    - 1
"He":
  atomic_number: 2
  name: Helium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 0
"Li":
  atomic_number: 3
  name: Lithium
  is_considered_metal: true
  oxidation_state:
    - 1
  valence:
    - 1
"Be":
  atomic_number: 4
  name: Beryllium
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - 2
"B":
  atomic_number: 5
  name: Boron
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 3
"C":
  atomic_number: 6
  name: Carbon
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 4
"N":
  atomic_number: 7
  name: Nitrogen
  is_considered_metal: false
  oxidation_state:
    - -3
  valence:
    - 3
"O":
  atomic_number: 8
  name: Oxygen
  is_considered_metal: false
  oxidation_state:
    - -2
  valence:
    - 2
"F":
  atomic_number: 9
  name: Fluorine
  is_considered_metal: false
  oxidation_state:
    - -1
  valence:
    - 1
"Ne":
  atomic_number: 10
  name: Neon
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 0
"Na":
  atomic_number: 11
  name: Sodium
  is_considered_metal: true
  oxidation_state:
    - 1
  valence:
    - 1
"Mg":
  atomic_number: 12
  name: Magnesium
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - 2
"Al":
  atomic_number: 13
  name: Aluminium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - 3
"Si":
  atomic_number: 14
  name: Silicon
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 4
"P":
  atomic_number: 15
  name: Phosphorus
  is_considered_metal: false
  oxidation_state:
    - -3
  valence:
    - 3
    - 5
"S":
  atomic_number: 16
  name: Sulfur
  is_considered_metal: false
  oxidation_state:
    - -2
  valence:
    - 2
    - 4
    - 6
"Cl":
  atomic_number: 17
  name: Chlorine
  is_considered_metal: false
  oxidation_state:
    - -1
  valence:
    - 1
    - 3
    - 5
    - 7
"Ar":
  atomic_number: 18
  name: Argon
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 0
"K":
  atomic_number: 19
  name: Potassium
  is_considered_metal: true
  oxidation_state:
    - 1
  valence:
    - 1
"Ca":
  atomic_number: 20
  name: Calcium
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - 2
"Sc":
  atomic_number: 21
  name: Scandium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Ti":
  atomic_number: 22
  name: Titanium
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
    - 4
  valence:
    - null
"V":
  atomic_number: 23
  name: Vanadium
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
    - 4
    - 5
  valence:
    - null
"Cr":
  atomic_number: 24
  name: Chromium
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
    - 6
  valence:
    - null
"Mn":
  atomic_number: 25
  name: Manganese
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
    - 4
    - 7
  valence:
    - null
"Fe":
  atomic_number: 26
  name: Iron
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
  valence:
    - null
"Co":
  atomic_number: 27
  name: Cobalt
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
  valence:
    - null
"Ni":
  atomic_number: 28
  name: Nickel
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
  valence:
    - null
"Cu":
  atomic_number: 29
  name: Copper
  is_considered_metal: true
  oxidation_state:
    - 1
    - 2
  valence:
    - null
"Zn":
  atomic_number: 30
  name: Zinc
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - null
"Ga":
  atomic_number: 31
  name: Gallium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - 2
    - 3
"Ge":
  atomic_number: 32
  name: Germanium
  is_considered_metal: false
  oxidation_state:
    - 2
    - 4
  valence:
    - 2
    - 4
"As":
  atomic_number: 33
  name: Arsenic
  is_considered_metal: false
  oxidation_state:
    - -3
    - 3
    - 5
  valence:
    - 3
    - 5
"Se":
  atomic_number: 34
  name: Selenium
  is_considered_metal: false
  oxidation_state:
    - -2
  valence:
    - 2
    - 4
    - 6
"Br":
  atomic_number: 35
  name: Bromine
  is_considered_metal: false
  oxidation_state:
    - -1
  valence:
    - 1
    - 3
    - 5
    - 7
"Kr":
  atomic_number: 36
  name: Krypton
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 0
    - 2
"Rb":
  atomic_number: 37
  name: Rubidium
  is_considered_metal: true
  oxidation_state:
    - 1
  valence:
    - 1
"Sr":
  atomic_number: 38
  name: Strontium
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - 2
"Y":
  atomic_number: 39
  name: Yttrium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Zr":
  atomic_number: 40
  name: Zirconium
  is_considered_metal: true
  oxidation_state:
    - 4
  valence:
    - null
"Nb":
  atomic_number: 41
  name: Niobium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 5
  valence:
    - null
"Mo":
  atomic_number: 42
  name: Molybdenum
  is_considered_metal: true
  oxidation_state:
    - 6
  valence:
    - null
"Tc":
  atomic_number: 43
  name: Technetium
  is_considered_metal: true
  oxidation_state:
    - 4
    - 6
    - 7
  valence:
    - null
"Ru":
  atomic_number: 44
  name: Ruthenium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Rh":
  atomic_number: 45
  name: Rhodium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Pd":
  atomic_number: 46
  name: Palladium
  is_considered_metal: true
  oxidation_state:
    - 2
    - 4
  valence:
    - null
"Ag":
  atomic_number: 47
  name: Silver
  is_considered_metal: true
  oxidation_state:
    - 1
  valence:
    - null
"Cd":
  atomic_number: 48
  name: Cadmium
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - null
"In":
  atomic_number: 49
  name: Indium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - 1
    - 2
    - 3
"Sn":
  atomic_number: 50
  name: Tin
  is_considered_metal: true
  oxidation_state:
    - 2
    - 4
  valence:
    - 2
    - 4
"Sb":
  atomic_number: 51
  name: Antimony
  is_considered_metal: true
  oxidation_state:
    - -3
    - 3
    - 5
  valence:
    - 3
    - 5
"Te":
  atomic_number: 52
  name: Tellurium
  is_considered_metal: false
  oxidation_state:
    - -2
    - 4
    - 6
  valence:
    - 2
    - 4
    - 6
"I":
  atomic_number: 53
  name: Iodine
  is_considered_metal: false
  oxidation_state:
    - -1
  valence:
    - 1
    - 3
    - 5
    - 7
"Xe":
  atomic_number: 54
  name: Xenon
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - 0
    - 2
    - 4
    - 6
"Cs":
  atomic_number: 55
  name: Caesium
  is_considered_metal: true
  oxidation_state:
    - 1
  valence:
    - 1
"Ba":
  atomic_number: 56
  name: Barium
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - 2
"La":
  atomic_number: 57
  name: Lanthanum
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Ce":
  atomic_number: 58
  name: Cerium
  is_considered_metal: true
  oxidation_state:
    - 3,4
  valence:
    - null
"Pr":
  atomic_number: 59
  name: Praseodymium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Nd":
  atomic_number: 60
  name: Neodymium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Pm":
  atomic_number: 61
  name: Promethium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Sm":
  atomic_number: 62
  name: Samarium
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
  valence:
    - null
"Eu":
  atomic_number: 63
  name: Europium
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
  valence:
    - null
"Gd":
  atomic_number: 64
  name: Gadolinium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Tb":
  atomic_number: 65
  name: Terbium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Dy":
  atomic_number: 66
  name: Dysprosium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Ho":
  atomic_number: 67
  name: Holmium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Er":
  atomic_number: 68
  name: Erbium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Tm":
  atomic_number: 69
  name: Thulium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Yb":
  atomic_number: 70
  name: Ytterbium
  is_considered_metal: true
  oxidation_state:
    - 2
    - 3
  valence:
    - null
"Lu":
  atomic_number: 71
  name: Lutetium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Hf":
  atomic_number: 72
  name: Hafnium
  is_considered_metal: true
  oxidation_state:
    - 4
  valence:
    - null
"Ta":
  atomic_number: 73
  name: Tantalum
  is_considered_metal: true
  oxidation_state:
    - 5
  valence:
    - null
"W":
  atomic_number: 74
  name: Tungsten
  is_considered_metal: true
  oxidation_state:
    - 6
  valence:
    - null
"Re":
  atomic_number: 75
  name: Rhenium
  is_considered_metal: true
  oxidation_state:
    - 4
    - 6
    - 7
  valence:
    - null
"Os":
  atomic_number: 76
  name: Osmium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 4
  valence:
    - null
"Ir":
  atomic_number: 77
  name: Iridium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 4
  valence:
    - null
"Pt":
  atomic_number: 78
  name: Platinum
  is_considered_metal: true
  oxidation_state:
    - 2
    - 4
  valence:
    - null
"Au":
  atomic_number: 79
  name: Gold
  is_considered_metal: true
  oxidation_state:
    - 1
    - 2
  valence:
    - null
"Hg":
  atomic_number: 80
  name: Mercury
  is_considered_metal: true
  oxidation_state:
    - 1
    - 2
  valence:
    - null
"Tl":
  atomic_number: 81
  name: Thallium
  is_considered_metal: true
  oxidation_state:
    - 1
    - 3
  valence:
    - null
"Pb":
  atomic_number: 82
  name: Lead
  is_considered_metal: true
  oxidation_state:
    - 2
    - 4
  valence:
    - null
"Bi":
  atomic_number: 83
  name: Bismuth
  is_considered_metal: true
  oxidation_state:
    - 3
    - 5
  valence:
    - null
"Po":
  atomic_number: 84
  name: Polonium
  is_considered_metal: true
  oxidation_state:
    - -2
    - 2
    - 4
  valence:
    - null
"At":
  atomic_number: 85
  name: Astatine
  is_considered_metal: false
  oxidation_state:
    - -1
    - 1
  valence:
    - null
"Rn":
  atomic_number: 86
  name: Radon
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Fr":
  atomic_number: 87
  name: Francium
  is_considered_metal: true
  oxidation_state:
    - 1
  valence:
    - null
"Ra":
  atomic_number: 88
  name: Radium
  is_considered_metal: true
  oxidation_state:
    - 2
  valence:
    - null
"Ac":
  atomic_number: 89
  name: Actinium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Th":
  atomic_number: 90
  name: Thorium
  is_considered_metal: true
  oxidation_state:
    - 4
  valence:
    - null
"Pa":
  atomic_number: 91
  name: Protactinium
  is_considered_metal: true
  oxidation_state:
    - 4
    - 5
  valence:
    - null
"U":
  atomic_number: 92
  name: Uranium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 4
    - 5
    - 6
  valence:
    - null
"Np":
  atomic_number: 93
  name: Neptunium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 4
    - 5
    - 6
  valence:
    - null
"Pu":
  atomic_number: 94
  name: Plutonium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 4
    - 5
    - 6
  valence:
    - null
"Am":
  atomic_number: 95
  name: Americium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 4
    - 5
    - 6
  valence:
    - null
"Cm":
  atomic_number: 96
  name: Curium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Bk":
  atomic_number: 97
  name: Berkelium
  is_considered_metal: true
  oxidation_state:
    - 3
    - 4
  valence:
    - null
"Cf":
  atomic_number: 98
  name: Californium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Es":
  atomic_number: 99
  name: Einsteinium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Fm":
  atomic_number: 100
  name: Fermium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Md":
  atomic_number: 101
  name: Mendelevium
  is_considered_metal: true
  oxidation_state:
    - 2,3
  valence:
    - null
"No":
  atomic_number: 102
  name: Nobelium
  is_considered_metal: true
  oxidation_state:
    - 2,3
  valence:
    - null
"Lr":
  atomic_number: 103
  name: Lawrencium
  is_considered_metal: true
  oxidation_state:
    - 3
  valence:
    - null
"Rf":
  atomic_number: 104
  name: Rutherfordium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Db":
  atomic_number: 105
  name: Dubnium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Sg":
  atomic_number: 106
  name: Seaborgium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Bh":
  atomic_number: 107
  name: Bohrium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Hs":
  atomic_number: 108
  name: Hassium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Mt":
  atomic_number: 109
  name: Meitnerium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Ds":
  atomic_number: 110
  name: Darmstadtium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Rg":
  atomic_number: 111
  name: Roentgenium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Cn":
  atomic_number: 112
  name: Copernicium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Nh":
  atomic_number: 113
  name: Nihonium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Fl":
  atomic_number: 114
  name: Flerovium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Mc":
  atomic_number: 115
  name: Moscovium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Lv":
  atomic_number: 116
  name: Livermorium
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Ts":
  atomic_number: 117
  name: Tennessine
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
"Og":
  atomic_number: 118
  name: Oganesson
  is_considered_metal: false
  oxidation_state:
    - null
  valence:
    - null
