Cs2BiSbSe4
Alexandria ALEXAlex-ID: agm004766044 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_415_spg82
Cs3SbSe3 Cs2Bi4Se7 CsSbSe2
2022-07-20 17:57:11.211752
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004766044).
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 agm004766044
data_agm004766044
_cell_length_a 7.74266
_cell_length_b 7.74266
_cell_length_c 7.74266
_cell_angle_alpha 98.76636
_cell_angle_beta 115.07455
_cell_angle_gamma 115.07455
_cell_volume 348.22118
_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 0.50000 0.75000 0.25000 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.50000 0.25000 0.75000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.58449 0.36968 0.45203 1.00000
Se2 Se 0.08235 0.21481 0.63032 1.00000
Se3 Se 0.91765 0.54797 0.13246 1.00000
Se4 Se 0.41551 0.86754 0.78519 1.00000
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