Rh(SeBr3)2
Alexandria ALEXAlex-ID: agm002185082 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_71_spg2
RhSe3Br11 Rh2(Se3Br2)3 RhBr3
2018-06-10 02:31:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002185082).
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 agm002185082
data_agm002185082
_cell_length_a 4.11996
_cell_length_b 7.86546
_cell_length_c 9.89803
_cell_angle_alpha 103.37655
_cell_angle_beta 101.66714
_cell_angle_gamma 87.56555
_cell_volume 305.59744
_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
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.75063 0.28189 0.29346 1.00000
Se2 Se 0.24937 0.71811 0.70654 1.00000
Br1 Br 0.39153 0.65275 0.39495 1.00000
Br2 Br 0.60847 0.34725 0.60505 1.00000
Br3 Br 0.87688 0.33693 0.08371 1.00000
Br4 Br 0.97420 0.98992 0.69749 1.00000
Br5 Br 0.02580 0.01008 0.30251 1.00000
Br6 Br 0.12312 0.66307 0.91629 1.00000
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