TlBi2H7
Alexandria ALEXAlex-ID: agm006204271 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1303_spg1
BiH2 TlH3
2024-02-01 14:33:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204271).
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 agm006204271
data_agm006204271
_cell_length_a 5.01279
_cell_length_b 6.25656
_cell_length_c 9.04957
_cell_angle_alpha 123.84405
_cell_angle_beta 55.75847
_cell_angle_gamma 129.88820
_cell_volume 171.20986
_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 0.79239 0.64999 0.44492 1.00000
H2 H 0.46806 0.71101 0.75975 1.00000
H3 H 0.45669 0.59290 0.77107 1.00000
H4 H 0.12843 0.95326 0.08684 1.00000
H5 H 0.59929 0.96472 0.43976 1.00000
H6 H 0.78654 0.51527 0.42919 1.00000
H7 H 0.99133 0.50364 0.64482 1.00000
Bi1 Bi 0.58179 0.18036 0.71917 1.00000
Bi2 Bi 0.61886 0.76159 0.16354 1.00000
Tl1 Tl 0.80902 0.22465 0.00909 1.00000
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