Re2Br
Alexandria ALEXAlex-ID: agm005459099 · 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
AB2_1951_spg12
ReBr6 Re
2023-03-22 17:07:12.040957
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005459099).
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 agm005459099
data_agm005459099
_cell_length_a 8.85872
_cell_length_b 8.85872
_cell_length_c 5.73117
_cell_angle_alpha 80.99643
_cell_angle_beta 80.99643
_cell_angle_gamma 19.69505
_cell_volume 149.65238
_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
Re1 Re 0.29598 0.29598 0.59209 1.00000
Re2 Re 0.70988 0.70988 0.88530 1.00000
Re3 Re 0.29012 0.29012 0.11470 1.00000
Re4 Re 0.70402 0.70402 0.40791 1.00000
Br1 Br 0.90680 0.90680 0.29563 1.00000
Br2 Br 0.09320 0.09320 0.70437 1.00000
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