Ho4Cd2Ag3
Alexandria ALEXAlex-ID: agm005632013 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_140_spg12
HoCdAg Ho6CdAg5 HoCd
2023-06-26 16:13:13.973953
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005632013).
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 agm005632013
data_agm005632013
_cell_length_a 4.94191
_cell_length_b 5.46420
_cell_length_c 9.15390
_cell_angle_alpha 79.83305
_cell_angle_beta 89.99884
_cell_angle_gamma 63.11268
_cell_volume 216.10580
_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 0.64504 0.71001 0.89677 1.00000
Ho2 Ho 0.05491 0.89002 0.33896 1.00000
Ho3 Ho 0.94509 0.10998 0.66104 1.00000
Ho4 Ho 0.35496 0.28999 0.10323 1.00000
Cd1 Cd 0.27477 0.45074 0.73895 1.00000
Cd2 Cd 0.72523 0.54926 0.26105 1.00000
Ag1 Ag 0.36069 0.27833 0.43498 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Ag3 Ag 0.63931 0.72167 0.56502 1.00000
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