CsTlBiSb
Alexandria ALEXAlex-ID: agm005196380 · 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
ABCD_219_spg8
CsBi2 CsTlSb CsSb2 Tl2Bi
2022-08-07 15:47:51.784875
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005196380).
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 agm005196380
data_agm005196380
_cell_length_a 4.50752
_cell_length_b 4.94542
_cell_length_c 8.21624
_cell_angle_alpha 107.48865
_cell_angle_beta 105.92062
_cell_angle_gamma 90.00000
_cell_volume 167.30666
_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 0.30655 0.87252 0.61310 1.00000
Tl1 Tl 0.67591 0.24043 0.35182 1.00000
Bi1 Bi 0.52881 0.59471 0.05761 1.00000
Sb1 Sb 0.02358 0.16021 0.04717 1.00000
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