SmHoBi2
Alexandria ALEXAlex-ID: agm079106905 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1298_spg15
Sm3HoBi4 SmHo2Bi3
2025-03-09 07:24:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079106905).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm079106905
data_agm079106905
_cell_length_a 10.08559
_cell_length_b 10.08559
_cell_length_c 7.81419
_cell_angle_alpha 75.01718
_cell_angle_beta 104.98282
_cell_angle_gamma 53.14753
_cell_volume 519.06075
_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 0.93879 0.93879 0.25000 1.00000
Sm2 Sm 0.06121 0.06121 0.75000 1.00000
Sm3 Sm 0.81405 0.81405 0.75000 1.00000
Sm4 Sm 0.18595 0.18595 0.25000 1.00000
Ho1 Ho 0.68884 0.68884 0.25000 1.00000
Ho2 Ho 0.31116 0.31116 0.75000 1.00000
Ho3 Ho 0.56413 0.56413 0.75000 1.00000
Ho4 Ho 0.43587 0.43587 0.25000 1.00000
Bi1 Bi 0.06471 0.56001 0.25469 1.00000
Bi2 Bi 0.93529 0.43999 0.74531 1.00000
Bi3 Bi 0.56001 0.06471 0.24531 1.00000
Bi4 Bi 0.43999 0.93529 0.75469 1.00000
Bi5 Bi 0.32119 0.80359 0.25465 1.00000
Bi6 Bi 0.67881 0.19641 0.74535 1.00000
Bi7 Bi 0.80359 0.32119 0.24535 1.00000
Bi8 Bi 0.19641 0.67881 0.75465 1.00000
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