9.9 Table of default chemical valences used in USPEX

Table of chemical valences used in USPEX (for hardness calculations, etc.):

Z

Element

valence

Z

Element

valence

Z

Element

valence

1

H

1

35

Br

1

69

Tm

3

2

He

0.5

36

Kr

0.5

70

Yb

3

3

Li

1

37

Rb

1

71

Lu

3

4

Be

2

38

Sr

2

72

Hf

4

5

B

3

39

Y

3

73

Ta

5

6

C

4

40

Zr

4

74

W

4

7

N

3

41

Nb

5

75

Re

4

8

O

2

42

Mo

4

76

Os

4

9

F

1

43

Tc

4

77

Ir

4

10

Ne

0.5

44

Ru

4

78

Pt

4

11

Na

1

45

Rh

4

79

Au

1

12

Mg

2

46

Pd

4

80

Hg

2

13

Al

3

47

Ag

1

81

Tl

3

14

Si

4

48

Cd

2

82

Pb

4

15

P

3

49

In

3

83

Bi

3

16

S

2

50

Sn

4

84

Po

2

17

Cl

1

51

Sb

3

85

At

1

18

Ar

0.5

52

Te

2

86

Rn

0.5

19

K

1

53

I

1

87

Fr

1

20

Ca

2

54

Xe

0.5

88

Ra

2

21

Sc

3

55

Cs

1

89

Ac

3

22

Ti

4

56

Ba

2

90

Th

4

23

V

4

57

La

3

91

Pa

4

24

Cr

3

58

Ce

4

92

U

4

25

Mn

4

59

Pr

3

93

Np

4

26

Fe

3

60

Nd

3

94

Pu

4

27

Co

3

61

Pm

3

95

Am

4

28

Ni

2

62

Sm

3

96

Cm

4

29

Cu

2

63

Eu

3

97

Bk

4

30

Zn

2

64

Gd

3

98

Cf

4

31

Ga

3

65

Tb

3

99

Es

4

32

Ge

4

66

Dy

3

100

FM

4

33

As

3

67

Ho

3

101

Md

4

34

Se

2

68

Er

3

102

No

4