Ho3HgOs
Alexandria ALEXAlex-ID: agm005803175 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6933_spg2
Ho4HgOs Ho6Hg5Os Ho5HgOs2
2023-07-04 05:26:11.674732
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803175).
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 agm005803175
data_agm005803175
_cell_length_a 5.80762
_cell_length_b 5.80762
_cell_length_c 8.64076
_cell_angle_alpha 101.99874
_cell_angle_beta 101.99663
_cell_angle_gamma 112.42303
_cell_volume 249.87706
_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 0.30063 0.80064 0.10127 1.00000
Ho2 Ho 0.69937 0.19936 0.89873 1.00000
Ho3 Ho 0.07602 0.20239 0.27841 1.00000
Ho4 Ho 0.92398 0.79761 0.72159 1.00000
Ho5 Ho 0.70237 0.57606 0.27843 1.00000
Ho6 Ho 0.29763 0.42394 0.72157 1.00000
Hg1 Hg 0.71487 0.21487 0.50000 1.00000
Hg2 Hg 0.28513 0.78513 0.50000 1.00000
Os1 Os 0.25001 0.25001 0.00000 1.00000
Os2 Os 0.74999 0.74999 1.00000 1.00000
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