CsHgSb2
Alexandria ALEXAlex-ID: agm005772582 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_9580_spg15
CsHgSb Sb
2023-07-14 17:28:12.146799
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772582).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005772582
data_agm005772582
_cell_length_a 7.35417
_cell_length_b 7.35639
_cell_length_c 8.34555
_cell_angle_alpha 106.05779
_cell_angle_beta 106.02360
_cell_angle_gamma 124.59200
_cell_volume 298.90293
_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
Cs1 Cs 0.98232 0.01718 0.99980 1.00000
Cs2 Cs 0.26766 0.73280 0.50017 1.00000
Hg1 Hg 0.58867 0.41049 0.49980 1.00000
Hg2 Hg 0.66131 0.33949 0.00021 1.00000
Sb1 Sb 0.52074 0.97881 0.17601 1.00000
Sb2 Sb 0.72927 0.77123 0.32399 1.00000
Sb3 Sb 0.02130 0.47950 0.82400 1.00000
Sb4 Sb 0.22873 0.27051 0.67600 1.00000
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