Ce5HgSb5
Alexandria ALEXAlex-ID: agm003674036 · 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
AB5C5_0_spg12
Hg CeSb
2022-04-09 17:21:21.485135
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674036).
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 agm003674036
data_agm003674036
_cell_length_a 6.33131
_cell_length_b 7.61463
_cell_length_c 9.20565
_cell_angle_alpha 107.04596
_cell_angle_beta 90.00000
_cell_angle_gamma 114.56551
_cell_volume 382.09822
_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
Ce1 Ce 0.83271 0.66542 0.17611 1.00000
Ce2 Ce 0.82981 0.65962 0.65521 1.00000
Ce3 Ce 0.50000 0.00000 0.00000 1.00000
Ce4 Ce 0.17019 0.34038 0.34479 1.00000
Ce5 Ce 0.16729 0.33458 0.82389 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.66300 0.32599 0.33200 1.00000
Sb2 Sb 0.67138 0.34275 0.84027 1.00000
Sb3 Sb 0.00000 0.00000 0.50000 1.00000
Sb4 Sb 0.32862 0.65725 0.15973 1.00000
Sb5 Sb 0.33700 0.67401 0.66800 1.00000
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