Ce8Os3RhBr4
Alexandria ALEXAlex-ID: agm004715768 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_20_spg12
Ce4Os3 Ce3OsBr3 Ce7Os3 CeRh
2023-02-03 02:21:21.489398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004715768).
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}
}
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# CIF generated by HEAS from Alexandria entry agm004715768
data_agm004715768
_cell_length_a 8.13819
_cell_length_b 8.99762
_cell_length_c 8.13989
_cell_angle_alpha 116.93066
_cell_angle_beta 119.99311
_cell_angle_gamma 90.00000
_cell_volume 440.00966
_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 0.23467 0.69620 0.96232 1.00000
Ce2 Ce 0.23485 0.69632 0.46970 1.00000
Ce3 Ce 0.26797 0.30442 0.53594 1.00000
Ce4 Ce 0.72765 0.69620 0.96232 1.00000
Ce5 Ce 0.27235 0.30380 0.03768 1.00000
Ce6 Ce 0.73203 0.69558 0.46406 1.00000
Ce7 Ce 0.76515 0.30368 0.53030 1.00000
Ce8 Ce 0.76533 0.30380 0.03768 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.50000 0.50000 1.00000
Os3 Os 0.00000 0.50000 0.50000 1.00000
Rh1 Rh 0.00000 0.50000 0.00000 1.00000
Br1 Br 0.50000 0.00000 0.00000 1.00000
Br2 Br 0.50000 0.00000 0.50000 1.00000
Br3 Br 0.00000 0.00000 0.00000 1.00000
Br4 Br 0.00000 0.00000 0.50000 1.00000
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