CeSe2
Alexandria ALEXAlex-ID: agm005242536 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_3400_spg74
CeSe2
2023-05-06 08:07:24.797160
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242536).
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 agm005242536
data_agm005242536
_cell_length_a 11.49031
_cell_length_b 11.49031
_cell_length_c 11.49031
_cell_angle_alpha 151.63504
_cell_angle_beta 118.72852
_cell_angle_gamma 68.86299
_cell_volume 624.88746
_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
Ce1 Ce 0.76379 0.95797 0.97432 1.00000
Ce2 Ce 0.23621 0.21052 0.19418 1.00000
Ce3 Ce 0.51635 0.71052 0.97432 1.00000
Ce4 Ce 0.48365 0.45797 0.19418 1.00000
Se1 Se 0.52034 0.95635 0.73252 1.00000
Se2 Se 0.47966 0.21218 0.43601 1.00000
Se3 Se 0.27617 0.71218 0.73252 1.00000
Se4 Se 0.72383 0.45635 0.43601 1.00000
Se5 Se 0.75954 0.83422 0.09376 1.00000
Se6 Se 0.24046 0.33422 0.07469 1.00000
Se7 Se 0.00000 0.08418 0.08418 1.00000
Se8 Se 0.50000 0.58418 0.08418 1.00000
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