CsSbP
Alexandria ALEXAlex-ID: agm002124366 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_3348_spg12
CsSb2 Cs3P7 CsSb
2021-11-15 04:31:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002124366).
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 agm002124366
data_agm002124366
_cell_length_a 6.41937
_cell_length_b 11.69886
_cell_length_c 9.19358
_cell_angle_alpha 90.00000
_cell_angle_beta 132.67633
_cell_angle_gamma 90.00000
_cell_volume 507.60142
_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 0.21302 0.30417 0.09706 1.00000
Cs2 Cs 0.21302 0.69583 0.09706 1.00000
Cs3 Cs 0.21302 0.80417 0.59706 1.00000
Cs4 Cs 0.21302 0.19583 0.59706 1.00000
Sb1 Sb 0.91018 0.00000 0.88524 1.00000
Sb2 Sb 0.91018 0.50000 0.38524 1.00000
Sb3 Sb 0.47541 0.00000 0.04361 1.00000
Sb4 Sb 0.47541 0.50000 0.54361 1.00000
P1 P 0.59379 0.00000 0.36422 1.00000
P2 P 0.59379 0.50000 0.86422 1.00000
P3 P 0.17054 0.00000 0.24702 1.00000
P4 P 0.17054 0.50000 0.74702 1.00000
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