MgHgSb
Alexandria ALEXAlex-ID: agm005679037 · 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
ABC_8430_spg12
Sb Hg Mg3Sb2
2023-06-19 10:38:25.577844
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679037).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005679037
data_agm005679037
_cell_length_a 4.93350
_cell_length_b 4.92857
_cell_length_c 12.00251
_cell_angle_alpha 127.95003
_cell_angle_beta 89.95856
_cell_angle_gamma 120.09040
_cell_volume 177.73257
_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
Mg1 Mg 0.60336 0.20669 0.26885 1.00000
Mg2 Mg 0.39664 0.79331 0.73115 1.00000
Hg1 Hg 0.24815 0.49598 0.91535 1.00000
Hg2 Hg 0.75185 0.50402 0.08465 1.00000
Sb1 Sb 0.67075 0.34239 0.67202 1.00000
Sb2 Sb 0.32925 0.65761 0.32798 1.00000
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