Ho4Cd3Ag2
Alexandria ALEXAlex-ID: agm005632004 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_138_spg12
HoCdAg Ho6CdAg5 HoCd
2023-06-26 15:44:54.804994
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005632004).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm005632004
data_agm005632004
_cell_length_a 5.09782
_cell_length_b 5.09750
_cell_length_c 9.76163
_cell_angle_alpha 90.00398
_cell_angle_beta 90.00004
_cell_angle_gamma 59.99763
_cell_volume 219.67705
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho1 Ho 0.66673 0.66655 0.88185 1.00000
Ho2 Ho 0.99998 0.00005 0.33021 1.00000
Ho3 Ho 0.00002 0.99995 0.66979 1.00000
Ho4 Ho 0.33327 0.33345 0.11815 1.00000
Cd1 Cd 0.33334 0.33333 0.48941 1.00000
Cd2 Cd 0.00000 0.00000 0.00000 1.00000
Cd3 Cd 0.66666 0.66667 0.51059 1.00000
Ag1 Ag 0.33348 0.33305 0.80796 1.00000
Ag2 Ag 0.66652 0.66695 0.19204 1.00000
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