Cs2In2Sb2S
Alexandria ALEXAlex-ID: agm024289141 · 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
AB2C2D2_13_spg12
Cs(InSb)2 Cs2In2Sb3 InSb Cs3InS3
2024-12-06 09:14:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024289141).
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 agm024289141
data_agm024289141
_cell_length_a 7.91358
_cell_length_b 7.91358
_cell_length_c 9.24513
_cell_angle_alpha 59.71295
_cell_angle_beta 120.28705
_cell_angle_gamma 145.47601
_cell_volume 278.64169
_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 0.44112 0.55888 0.18589 1.00000
Cs2 Cs 0.55888 0.44112 0.81411 1.00000
In1 In 0.18759 0.81241 0.56482 1.00000
In2 In 0.81241 0.18759 0.43518 1.00000
Sb1 Sb 0.19156 0.80844 0.24817 1.00000
Sb2 Sb 0.80844 0.19156 0.75183 1.00000
S1 S 0.00000 0.00000 0.50000 1.00000
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