SrCe(CuSe2)2
Alexandria ALEXAlex-ID: agm004787624 · 空间群: I222 (#23)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_368_spg23
Cu3Se2 Sr2CeCu2Se5 CeSe2 Cu
2022-07-13 14:37:20.456482
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004787624).
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 agm004787624
data_agm004787624
_cell_length_a 6.83645
_cell_length_b 6.38901
_cell_length_c 6.38901
_cell_angle_alpha 69.28504
_cell_angle_beta 57.65498
_cell_angle_gamma 57.65498
_cell_volume 198.28887
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.16371 0.33629 0.33629 1.00000
Cu2 Cu 0.83629 0.66371 0.66371 1.00000
Se1 Se 0.45978 0.07602 0.50749 1.00000
Se2 Se 0.04329 0.92398 0.49251 1.00000
Se3 Se 0.95671 0.50749 0.07602 1.00000
Se4 Se 0.54022 0.49251 0.92398 1.00000
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