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elements.dat
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elements.dat
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Data were taken from http://www.webelements.com/
Format:
column column meaning data type comment
1 atom_symbol string
2 atomic_number int
3 nucleus_charge int
4 number_of_electrons int
5 atom_mass double
6 period int
7 group int
8 block string
9 color int
10 bond length in element, A double actually this is the distance between closest atoms in element
11 atomic radii, A double based on SCF calculations of E. Clementi, D.L.Raimondi, and W.P. Reinhardt, J. Chem. Phys. 1963, 38, 2686.
//----------------------------------------------------------------------------------------------------------------------------
column: 1 2 3 4 5 6 7 8 9 10 11
//----------------------------------------------------------------------------------------------------------------------------
Xu 999 999 999 1.0000 99 99 S 99 0.00000 0.00
Xd 998 998 998 1.0000 99 99 S 99 0.00000 0.00
H 1 1 1 1.00795 1 1 S 1 0.74130 0.53
He 2 2 2 4.002602 1 8 S 2 3.00000 0.31
Li 3 3 3 6.941 2 1 S 3 3.039 1.67
Be 4 4 4 9.012182 2 2 S 4 2.226 1.12
B 5 5 5 10.812 2 3 P 5 1.589 0.87
C 6 6 6 12.0108 2 4 P 6 1.426 0.67
N 7 7 7 14.0067 2 5 P 7 1.0976 0.56
O 8 8 8 15.9994 2 6 P 8 1.20741 0.48
F 9 9 9 18.998403 2 7 P 9 1.418 0.42
Ne 10 10 10 20.1798 2 8 P 10 3.13 0.38
Na 11 11 11 22.989769 3 1 S 11 3.716 1.90
Mg 12 12 12 24.3051 3 2 S 12 3.197 1.45
Al 13 13 13 26.981539 3 3 P 13 2.863 1.18
Si 14 14 14 28.0855 3 4 P 14 2.352 1.11
P 15 15 15 30.973762 3 5 P 15 2.21 0.98
S 16 16 16 32.066 3 6 P 16 2.05 0.88
Cl 17 17 17 35.453 3 7 P 17 1.891 0.79
Ar 18 18 18 39.948 3 8 P 18 3.72 0.71
K 19 19 19 39.0983 4 1 S 19 4.544 2.43
Ca 20 20 20 40.078 4 2 S 20 3.947 1.94
Sc 21 21 21 44.955912 4 3 D 21 3.212 1.84
Ti 22 22 22 47.867 4 4 D 22 2.896 1.76
V 23 23 23 50.9415 4 5 D 23 2.622 1.71
Cr 24 24 24 51.9961 4 6 D 24 2.498 1.66
Mn 25 25 25 54.938045 4 7 D 25 2.731 1.61
Fe 26 26 26 55.845 4 8 D 26 2.482 1.56
Co 27 27 27 58.933195 4 8 D 27 2.506 1.52
Ni 28 28 28 58.6934 4 8 D 28 2.492 1.49
Cu 29 29 29 63.546 4 1 D 29 2.556 1.45
Zn 30 30 30 65.409 4 2 D 30 2.665 1.42
Ga 31 31 31 69.723 4 3 P 31 2.442 1.36
Ge 32 32 32 72.64 4 4 P 32 2.450 1.25
As 33 33 33 74.92160 4 5 P 33 2.49 1.14
Se 34 34 34 78.96 4 6 P 34 2.321 1.03
Br 35 35 35 79.904 4 7 P 35 2.284 0.94
Kr 36 36 36 83.798 4 8 P 36 4.04 0.88
Rb 37 37 37 85.4678 5 1 S 37 4.95 2.65
Sr 38 38 38 87.62 5 2 S 38 4.303 2.19
Y 39 39 39 88.90585 5 3 D 39 3.551 2.12
Zr 40 40 40 91.224 5 4 D 40 3.179 2.06
Nb 41 41 41 92.90638 5 5 D 41 2.858 1.98
Mo 42 42 42 95.94 5 6 D 42 2.725 1.90
Tc 43 43 43 98.00 5 7 D 43 2.703 1.83
Ru 44 44 44 101.07 5 8 D 44 2.650 1.78
Rh 45 45 45 102.90550 5 8 D 45 2.690 1.73
Pd 46 46 46 106.42 5 8 D 46 2.751 1.69
Ag 47 47 47 107.8682 5 1 D 47 2.889 1.65
Cd 48 48 48 112.411 5 2 D 48 2.979 1.61
In 49 49 49 114.818 5 3 P 49 3.251 1.56
Sn 50 50 50 118.710 5 4 P 50 2.810 1.45
Sb 51 51 51 121.760 5 5 P 51 2.900 1.33
Te 52 52 52 127.60 5 6 P 52 2.864 1.23
I 53 53 53 126.90447 5 7 P 53 2.666 1.15
Xe 54 54 54 131.293 5 8 P 54 4.390 1.08
Cs 55 55 55 132.9054519 6 1 S 55 5.309 2.98
Ba 56 56 56 137.327 6 2 S 56 4.347 2.53
La 57 57 57 138.90547 6 3 F 57 3.739
Ce 58 58 58 140.116 6 3 F 58 3.650
Pr 59 59 59 140.90765 6 3 F 59 3.640 2.47
Nd 60 60 60 144.242 6 3 F 60 3.628 2.06
Pm 61 61 61 145.0 6 3 F 61 2.05
Sm 62 62 62 150.36 6 3 F 62 3.579 2.38
Eu 63 63 63 151.964 6 3 F 63 3.989 2.31
Gd 64 64 64 157.25 6 3 F 64 3.573 2.33
Tb 65 65 65 158.92535 6 3 F 65 3.525 2.25
Dy 66 66 66 162.500 6 3 F 66 3.503 2.28
Ho 67 67 67 164.93032 6 3 F 67 3.486 2.26
Er 68 68 68 167.259 6 3 F 68 3.468 2.26
Tm 69 69 69 168.93421 6 3 F 69 3.447 2.22
Yb 70 70 70 173.04 6 3 F 70 3.880 2.22
Lu 71 71 71 174.967 6 3 D 71 3.435 2.17
Hf 72 72 72 178.49 6 4 D 72 3.127 2.08
Ta 73 73 73 180.94788 6 5 D 73 2.860 2.00
W 74 74 74 183.84 6 6 D 74 2.741 1.93
Re 75 75 75 186.207 6 7 D 75 2.741 1.88
Os 76 76 76 190.23 6 8 D 76 2.675 1.85
Ir 77 77 77 192.217 6 8 D 77 2.714 1.80
Pt 78 78 78 195.084 6 8 D 78 2.775 1.77
Au 79 79 79 196.966569 6 1 D 79 2.884 1.74
Hg 80 80 80 200.59 6 2 D 80 3.005 1.71
Tl 81 81 81 204.3833 6 3 P 81 3.408 1.56
Pb 82 82 82 207.2 6 4 P 82 3.500 1.54
Bi 83 83 83 208.98040 6 5 P 83 3.090 1.43
Po 84 84 84 209.0 6 6 P 84 3.345 1.35
At 85 85 85 210.0 6 7 P 85 1.27
Rn 86 86 86 222.0 6 8 P 86 1.20