CsGeP
Alexandria ALEXAlex-ID: agm005645652 · 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_5314_spg2
Cs2GeP2 Cs2P3 Cs4Ge23
2023-06-19 12:19:40.038423
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005645652).
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
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# CIF generated by HEAS from Alexandria entry agm005645652
data_agm005645652
_cell_length_a 5.05299
_cell_length_b 6.02882
_cell_length_c 8.67971
_cell_angle_alpha 108.05192
_cell_angle_beta 104.30270
_cell_angle_gamma 97.40034
_cell_volume 237.47842
_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 0.32152 0.38910 0.61870 1.00000
Cs2 Cs 0.62236 0.68987 0.22013 1.00000
Ge1 Ge 0.73418 0.13788 0.91980 1.00000
Ge2 Ge 0.25083 0.95594 0.91964 1.00000
P1 P 0.10024 0.13648 0.14935 1.00000
P2 P 0.87002 0.90718 0.69000 1.00000
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