Sm(Bi2Rh)4
Alexandria ALEXAlex-ID: agm097566909 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_787_spg8
SmBi Bi2Rh SmBiRh
2025-06-18 07:47:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097566909).
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 agm097566909
data_agm097566909
_cell_length_a 3.57089
_cell_length_b 10.27383
_cell_length_c 10.26898
_cell_angle_alpha 67.77111
_cell_angle_beta 80.14226
_cell_angle_gamma 79.95533
_cell_volume 341.09559
_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
Sm1 Sm 0.27471 0.99506 0.99530 1.00000
Bi1 Bi 0.59998 0.31451 0.03179 1.00000
Bi2 Bi 0.22426 0.72825 0.35760 1.00000
Bi3 Bi 0.59169 0.67782 0.67781 1.00000
Bi4 Bi 0.41479 0.05336 0.65142 1.00000
Bi5 Bi 0.59222 0.03205 0.31466 1.00000
Bi6 Bi 0.39220 0.37643 0.37634 1.00000
Bi7 Bi 0.22807 0.35763 0.72806 1.00000
Bi8 Bi 0.41895 0.65122 0.05341 1.00000
Rh1 Rh 0.90809 0.86080 0.86089 1.00000
Rh2 Rh 0.04737 0.54176 0.90582 1.00000
Rh3 Rh 0.76439 0.50524 0.50509 1.00000
Rh4 Rh 0.04327 0.90586 0.54182 1.00000
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