Pymatgen strange mendeleev numbers

I’m pulling Mendeleev numbers using pymatgen.core.periodic_table’s Specie class (mendeleev_no attribute) and I noticed that the MN produced by pymatgen (cross-validated with the current values in periodic_table.json) is quite different from that which is found in the Villars paper.

Not only is it very different, but I don’t see any obvious pattern since it jumps around the periodic table (scheme is reproduced below). Does anyone know where to find context on this counting scheme?

X - MN

He - 1
Ne - 2
Ar - 3
Kr - 4
Xe - 5
Rn - 6
Fr - 7
Cs - 8
Rb - 9
K - 10
Na - 11
Li - 12
Ra - 13
Ba - 14
Sr - 15
Ca - 16
Yb - 17
Eu - 18
Sc - 19
Lu - 20
Tm - 21
Er - 22
Ho - 23
Dy - 24
Y - 25
Tb - 26
Gd - 27
Sm - 28
Pm - 29
Nd - 30
Pr - 31
Ce - 32
La - 33
Lr - 34
No - 35
Md - 36
Fm - 37
Es - 38
Cf - 39
Bk - 40
Cm - 41
Am - 42
Pu - 43
Np - 44
U - 45
Pa - 46
Th - 47
Ac - 48
Zr - 49
Hf - 50
Ti - 51
Ta - 52
Nb - 53
V - 54
W - 55
Mo - 56
Cr - 57
Re - 58
Tc - 59
Mn - 60
Fe - 61
Ru - 62
Os - 63
Co - 64
Rh - 65
Ir - 66
Ni - 67
Pt - 68
Pd - 69
Au - 70
Ag - 71
Cu - 72
Mg - 73
Hg - 74
Cd - 75
Zn - 76
Be - 77
Tl - 78
In - 79
Al - 80
Ga - 81
Pb - 82
Sn - 83
Ge - 84
Si - 85
B - 86
Bi - 87
Sb - 88
As - 89
P - 90
Po - 91
Te - 92
Se - 93
S - 94
C - 95
At - 96
I - 97
Br - 98
Cl - 99
N - 100
O - 101
F - 102
H - 103

Thanks,
Kyle

Hi Kyle,

This appears to be using an older scheme than Villars based on Pettifor. You can read more information in Pettifor, D. G. (1984). A chemical scale for crystal-structure maps. Solid State Communications , 51 (1), 31-34 and also mentioned in Pettifor, D. G. (1986). The structures of binary compounds. I. Phenomenological structure maps. Journal of Physics C: Solid State Physics , 19 (3), 285.

I’m not sure why this wasn’t referenced appropriately, I didn’t add the data. Thanks for bringing this to my attention, I’ll make sure a reference is added.

Best,

Matt

e.g. see this illustration from from The Structures of Binary Compounds, Hafner et al.

1 Like

Ah, I see. Thanks so much for the quick response, Matt!