BiH3Rh2
Alexandria ALEXAlex-ID: agm006496136 · 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
AB2C3_1823_spg2
Bi2Rh BiHRh3 H8Rh3
2024-02-27 13:21:49.680041
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006496136).
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 agm006496136
data_agm006496136
_cell_length_a 4.41886
_cell_length_b 5.39880
_cell_length_c 7.87226
_cell_angle_alpha 62.99392
_cell_angle_beta 72.07006
_cell_angle_gamma 86.29583
_cell_volume 158.57228
_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
Bi1 Bi 0.64998 0.07571 0.24877 1.00000
Bi2 Bi 0.35002 0.92429 0.75123 1.00000
H1 H 0.27792 0.23153 0.96564 1.00000
H2 H 0.80984 0.45792 0.71862 1.00000
H3 H 0.72352 0.46673 0.49930 1.00000
H4 H 0.27648 0.53327 0.50070 1.00000
H5 H 0.19016 0.54208 0.28138 1.00000
H6 H 0.72208 0.76847 0.03436 1.00000
Rh1 Rh 0.41730 0.44092 0.70714 1.00000
Rh2 Rh 0.58270 0.55908 0.29286 1.00000
Rh3 Rh 0.80402 0.59396 0.88583 1.00000
Rh4 Rh 0.19598 0.40604 0.11417 1.00000
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