Ac2BiH7
Alexandria ALEXAlex-ID: agm006209130 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_969_spg71
BiH2 AcH3 Bi
2023-12-16 00:34:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209130).
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 agm006209130
data_agm006209130
_cell_length_a 4.96341
_cell_length_b 7.32002
_cell_length_c 7.26855
_cell_angle_alpha 145.66031
_cell_angle_beta 70.70484
_cell_angle_gamma 110.50631
_cell_volume 139.10474
_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
H1 H 0.19425 0.04188 0.25598 1.00000
H2 H 0.76723 0.61508 0.68323 1.00000
H3 H 0.36719 0.47528 0.81208 1.00000
H4 H 0.06322 0.17224 0.11740 1.00000
H5 H 0.40734 0.05313 0.69425 1.00000
H6 H 0.59142 0.21398 0.13398 1.00000
H7 H 0.87045 0.49175 0.85373 1.00000
Ac1 Ac 0.30882 0.67360 0.65539 1.00000
Ac2 Ac 0.64923 0.01371 0.31425 1.00000
Bi1 Bi 0.01325 0.30674 0.94787 1.00000
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