Ce2PrBr6
Alexandria ALEXAlex-ID: agm005689324 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_990_spg12
CePrBr5 Ce2Br5 Ce
2023-07-06 12:43:33.511796
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689324).
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 agm005689324
data_agm005689324
_cell_length_a 4.00177
_cell_length_b 8.36548
_cell_length_c 10.82725
_cell_angle_alpha 112.65381
_cell_angle_beta 90.00001
_cell_angle_gamma 103.83835
_cell_volume 323.06658
_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 0.67443 0.34889 0.84526 1.00000
Ce2 Ce 0.32555 0.65113 0.15475 1.00000
Pr1 Pr 1.00000 0.00000 0.50000 1.00000
Br1 Br 0.31865 0.63733 0.87370 1.00000
Br2 Br 0.68133 0.36269 0.12630 1.00000
Br3 Br 0.97612 0.95227 0.21119 1.00000
Br4 Br 0.64869 0.29739 0.55148 1.00000
Br5 Br 0.02386 0.04775 0.78881 1.00000
Br6 Br 0.35130 0.70261 0.44852 1.00000
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