Cs2Co3Se4
Alexandria ALEXAlex-ID: agm005645786 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_74_spg70
Cs(CoSe)4 Co CsSe
2023-06-26 21:51:49.373040
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005645786).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005645786
data_agm005645786
_cell_length_a 6.03614
_cell_length_b 6.06356
_cell_length_c 16.23454
_cell_angle_alpha 84.69073
_cell_angle_beta 79.28614
_cell_angle_gamma 60.14946
_cell_volume 506.37440
_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 0.17237 0.50000 0.65527 1.00000
Cs2 Cs 0.32763 0.50000 0.34473 1.00000
Cs3 Cs 0.57763 0.00000 0.84473 1.00000
Cs4 Cs 0.42237 1.00000 0.15527 1.00000
Co1 Co 0.24978 0.00000 0.50045 1.00000
Co2 Co 0.99978 0.50000 0.00045 1.00000
Co3 Co 0.50022 0.50000 0.99955 1.00000
Co4 Co 0.00000 0.00000 0.00000 1.00000
Co5 Co 0.75000 0.50000 0.50000 1.00000
Co6 Co 0.75022 1.00000 0.49955 1.00000
Se1 Se 0.88397 0.33295 0.90206 1.00000
Se2 Se 0.21397 0.66705 0.90206 1.00000
Se3 Se 0.78307 0.33295 0.09794 1.00000
Se4 Se 0.63102 0.83295 0.40206 1.00000
Se5 Se 0.86603 0.16705 0.59794 1.00000
Se6 Se 0.11898 0.66705 0.09794 1.00000
Se7 Se 0.96693 0.16705 0.40206 1.00000
Se8 Se 0.53603 0.83295 0.59794 1.00000
获取直接链接