Search
1
H
Hydrogen
1.008

1s1

2
He
Helium
4.0026

1s2

3
Li
Lithium
6.94

[He] 2s1

4
Be
Beryllium
9.0122

[He] 2s2

5
B
Boron
10.81

[He] 2s22p1

6
C
Carbon
12.011

[He] 2s22p2

7
N
Nitrogen
14.007

[He] 2s22p3

8
O
Oxygen
15.999

[He] 2s22p4

9
F
Flourine
18.998

[He] 2s22p5

10
Ne
Neon
20.18

[He] 2s22p6

11
Na
Sodium
22.99

[Ne] 3s1

12
Mg
Magnesium
24.305

[Ne] 3s2

13
Al
Aluminium
26.982

[Ne] 3s23p1

14
Si
Silicon
28.085

[Ne] 3s23p2

15
P
Phosphorus
30.974

[Ne] 3s23p3

16
S
Sulfur
32.06

[Ne] 3s23p4

17
Cl
Chlorine
35.45

[Ne] 3s23p5

18
Ar
Argon
39.948

[Ne] 3s23p6

19
K
Potassium
39.098

[Ar] 4s1

20
Ca
Calcium
40.078

[Ar] 4s2

21
Sc
Scandium
44.956

[Ar] 3d14s2

22
Ti
Titanium
47.867

[Ar] 3d24s2

23
V
Vanadium
50.942

[Ar] 3d34s2

24
Cr
Chromium
51.996

[Ar] 3d54s1

25
Mn
Manganese
54.938

[Ar] 3d54s2

26
Fe
Iron
55.845

[Ar] 3d64s2

27
Co
Cobalt
58.933

[Ar] 3d74s2

28
Ni
Nickel
58.693

[Ar] 3d84s2

29
Cu
Copper
63.546

[Ar] 3d104s1

30
Zn
Zinc
65.38

[Ar] 3d104s2

31
Ga
Gallium
69.723

[Ar] 3d104s24p1

32
Ge
Germanium
72.63

[Ar] 3d104s24p2

33
As
Arsenic
74.922

[Ar] 3d104s24p3

34
Se
Selenium
78.971

[Ar] 3d104s24p4

35
Br
Bromine

[Ar] 3d104s24p5

36
Kr
Krypton
83.798

[Ar] 3d104s24p6

37
Rb
Rb
Rubidium
85.468

[Kr] 5s1

38
Sr
Strontium
87.62

[Kr] 5s2

39
Y
Yttrium
88.906

[Kr] 4d15s2

40
Zr
Zirconium
91.224

[Kr] 4d25s2

41
Nb
Niobium
92.906

[Kr] 4d45s1

42
Mo
Molybdenum
95.95

[Kr] 4d55s1

43
Tc
Technetium
(98)

[Kr] 4d55s2

44
Ru
Ruthenium
101.07

[Kr] 4d75s1

45
Rh
Rhodium
102.91

[Kr] 4d85s1

46
Pd
Palladium
106.42

[Kr] 4d10

47
Ag
Silver
107.87

[Kr] 4d105s1

48
Cd
Cadmium
112.41

[Kr] 4d105s2

49
In
Indium
114.82

[Kr] 4d105s25p1

50
Sn
Tin
204.38

[Kr] 4d105s25p2

51
Sb
Antimony
121.76

[Kr] 4d105s25p3

52
Te
Tellurium
127.6

[Kr] 4d105s25p4

53
I
Iodine
126.9

[Kr] 4d105s25p5

54
Xe
Xenon
131.29

[Kr] 4d105s25p6

55
Cs
Caesium
132.91

[Xe] 6s1

56
Ba
Barium
137.33

[Xe] 6s2

57
La
Lanthanum
138.91

[Xe] 5d16s2

58
Ce
Cerium
140.12

[Xe] 4f15d16s2

59
Pr
Praseodymium
140.91

[Xe] 4f36s2

60
Nd
Neodymium
144.24

[Xe] 4f46s2

61
Pm
Promethium
144.24

[Xe] 4f56s2

62
Sm
Samarium
150.36

[Xe] 4f66s2

63
Eu
Europium
151.96

[Xe] 4f76s2

64
Gd
Gadolinium
157.25

[Xe] 4f75d16s2

65
Tb
Terbium
158.93

[Xe] 4f96s2

66
Dy
Dysprosium
162.5

[Xe] 4f106s2

67
Ho
Holmium
164.93

[Xe] 4f116s2

68
Er
Erbium
167.26

[Xe] 4f126s2

69
Tm
Thulium
168.93

[Xe] 4f136s2

70
Yb
Ytterbium
173.05

[Xe] 4f146s2

71
Lu
Lutetium
174.97

[Xe] 4f145d16s2

72
Hf
Hafnium
178.49

[Xe] 4f145d26s2

73
Ta
Tantalum
180.95

[Xe] 4f145d36s2

74
W
Tungsten
183.84

[Xe] 4f145d46s2

75
Re
Rhenium
186.21

[Xe] 4f145d56s2

76
Os
Osmium
190.23

[Xe] 4f145d66s2

77
Ir
Iridium
192.22

[Xe] 4f145d76s2

78
Pt
Platinum
195.08

[Xe] 4f145d96s1

79
Au
Gold
196.97

[Xe] 4f145d106s1

80
Hg
Mercury
200.59

[Xe] 4f145d106s2

81
Tl
Thallium
204.38

[Xe] 4f145d106s26p1

82
Pb
Lead
207.2

[Xe] 4f145d106s26p2

83
Bi
Bismuth
208.98

[Xe] 4f145d106s26p3

84
Po
Polonium
(209)

[Xe] 4f145d106s26p4

85
At
Astatine
(210)

[Xe] 4f145d106s26p5

86
Rn
Radon
(222)

[Xe] 4f145d106s26p6

87
Fr
Francium
(223)

[Rn] 7s1

88
Ra
Radium
(226)

[Rn] 7s2

89
Ac
Actinium
(227)

[Rn] 6d17s2

90
Th
Thorium
232.04

[Rn] 6d27s2

91
Pa
Protactinium
231.04

[Rn] 5f26d17s2

92
U
Uranium
238.03

[Rn] 5f36d17s2

93
Np
Neptunium
(237)

[Rn] 5f46d17s2

94
Pu
Plutonium
(244)

[Rn] 5f67s2

95
Am
Americium
(243)

[Rn] 5f77s2

96
Cm
Curium
(247)

[Rn] 5f76d17s2

97
Bk
Berkelium
(247)

[Rn] 5f9>7s2

98
Cf
Californium
(251)

[Rn] 5f107s2

99
Es
Einsteinium
(252)

[Rn] 5f117s2

100
Fm
Fermium
(257)

[Rn] 5f127s2

101
Md
Mendelevium
(258)

[Rn] 5f137s2

102
No
Nobelium
(259)

[Rn] 5f147s2

103
Lr
Lawrencium
(266)

[Rn] 5f147s27p1

104
Rf
Rutherfordium
(267)

[Rn] 5f146d27s2

105
Db
Dubnium
(268)

[Rn] 5f146d37s2

106
Sg
Seaborgium
(269)

[Rn] 5f146d47s2

107
Bh
Bohrium
(270)

[Rn] 5f146d57s2

108
Hs
Hassium
(277)

[Rn] 5f146d67s2

109
Mt
Meitnerium
(278)

[Rn] 5f146d77s2

110
Ds
Darmstadtium
(281)

[Rn] 5f146d87s2

111
Rg
Roentgenium
(282)

[Rn] 5f146d97s2

112
Cn
Copernicium
(282)

[Rn] 5f146d107s2

113
Nh
Nihonium
(286)

[Rn] 5f146d107s27p1

114
Fl
Flerovium
(289)

[Rn] 5f146d107s27p2

115
Mc
Moscovium
(290)

[Rn] 5f146d107s27p3

116
Lv
Livermorium
(293)

[Rn] 5f146d107s27p4

117
Ts
Tennessine
(294)

[Rn] 5f146d107s27p5

118
Og
Oganesson
(294)

[Rn] 5f146d107s27p6

57-71
89-103

                    

              

            

        

        

            

        

    





                                  

                            


                        

                    

                

                  

            
       

        

            


                
                
                

                    
                    
                


            

        



    





    

        
Results

    

    

        
        


        
        

        

            

                
                

                    
                    
                    
                    Elements
                    
                    
                    
                    Dataset
                    
                    
                    
                    Description
                    
                    
                    
                    Authors
                    
                    
                    
                    Contact e-mail
                    
                    
                    
                    Formula
                    
                    
                    
                    Entry type
                    
                    
                    
                    Absorption edge
                    
                    
                    
                    Beamline
                    
                    
                    
                    Facility
                    
                    
                    
                    Monochromator
                    
                    
                    
                    Sample
                    
                    
                    
                    XAS type
                    
                    
                    
                    Keywords
                    
                    
                    
                    Uploader
                    
                    
                    
                    Stoichiometry
                    
                    
                    
                    Upload date
                    
                    
                    
                    Published
                    
                    
                    
                    Atomic symbols
                    
                    
                    
                    Space group
                    
                    
                    
                    Lattice type
                    
                    
                    
                    Number of sites
                    
                    
                    
                    Number of elements
                    
                    
                    
                    Dimensionality
                    
                    
                    
                    Final energy
                    
                    
                    
                    Final energy per atom
                    
                    
                    
                    Fermi level
                    
                    
                    
                    Hubbard
                    
                    
                    
                    Spin polarized
                    
                    
                    
                    Separate Spins
                    
                    
                    
                    Metal
                    
                    
                    
                    VASP version
                    
                    
                    
                    Run type