La8Bi5H
Alexandria ALEXAlex-ID: agm006576437 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_223_spg82
La3BiH4 La5Bi3 LaBi
2024-03-01 18:09:19.888295
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006576437).
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 agm006576437
data_agm006576437
_cell_length_a 8.43627
_cell_length_b 8.43627
_cell_length_c 8.43627
_cell_angle_alpha 111.46906
_cell_angle_beta 111.46906
_cell_angle_gamma 105.54545
_cell_volume 460.58592
_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
La1 La 0.06407 0.35613 0.84588 1.00000
La2 La 0.64387 0.48975 0.70794 1.00000
La3 La 0.98931 0.75783 0.60415 1.00000
La4 La 0.24217 0.84632 0.23148 1.00000
La5 La 0.61484 0.01069 0.76852 1.00000
La6 La 0.78181 0.93593 0.29206 1.00000
La7 La 0.51025 0.21819 0.15412 1.00000
La8 La 0.15368 0.38516 0.39585 1.00000
Bi1 Bi 0.85726 0.50139 0.12692 1.00000
Bi2 Bi 0.49861 0.62553 0.35587 1.00000
Bi3 Bi 0.37447 0.73034 0.87308 1.00000
Bi4 Bi 0.00000 0.00000 0.00000 1.00000
Bi5 Bi 0.26966 0.14274 0.64413 1.00000
H1 H 0.75000 0.25000 0.50000 1.00000
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