Cs2CdS3
Alexandria ALEXAlex-ID: agm034296907 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4973_spg15
Cs2S3 Cs2CdS2 CdS
2025-04-14 22:51:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034296907).
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 agm034296907
data_agm034296907
_cell_length_a 8.58523
_cell_length_b 6.95603
_cell_length_c 9.40394
_cell_angle_alpha 107.45872
_cell_angle_beta 66.09218
_cell_angle_gamma 113.31443
_cell_volume 464.92169
_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 0.21415 0.98963 0.10816 1.00000
Cs2 Cs 0.75368 0.39693 0.04731 1.00000
Cs3 Cs 0.57702 0.53120 0.69315 1.00000
Cs4 Cs 0.45192 0.86253 0.46314 1.00000
Cd1 Cd 0.01902 0.41571 0.57255 1.00000
Cd2 Cd 0.02122 0.99432 0.63370 1.00000
S1 S 0.74782 0.09596 0.68200 1.00000
S2 S 0.41090 0.61247 0.09307 1.00000
S3 S 0.28263 0.26651 0.47446 1.00000
S4 S 0.03201 0.75847 0.77892 1.00000
S5 S 0.98746 0.56829 0.36038 1.00000
S6 S 0.13916 0.46323 0.13257 1.00000
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