[Cod-bugs] Crystal structures from Wang et al. 2016 in the Crystallography Open Database

[Andrius Merkys]

Dear Zhenbin Wang,

While curating the crystal structures deposited in the Crystallography
Open Database (COD), I have noticed there 53 crystal structures
associated with Wang et al. 2016 (doi:10.1021/acs.chemmater.6b01496).
Assigned COD IDs for these files are 4002764-4002816. However,
supplementary information ZIP of this publication seems to contain only
5 of these 53 crystal structures:

COD ID,CIF file name in the supplement
4002783,BaLiAl3N4.cif
4002775,CaLiAl3N4.cif
4002784,SrLiAl3N4-spacegroup-I4_1:a.cif
4002785,SrLiAl3N4-spacegroup-P-1.cif
4002816,SrMg3SiN4.cif

Could you please detail the source of the rest 48 crystal structures
associated with this publication? Moreover, am I right to assume that
all structures associated with this publication are theoretically
computed? If so, Theoretical Crystallography Open Database (TCOD,
https://www.crystallography.net/tcod/) is more appropriate database for
them, as the COD is intended for experimentally determined crystal
structures.

Thank you very much for your contribution to the COD.

Best regards,
Andrius

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