Th2SbH
Alexandria ALEXAlex-ID: agm006579765 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_748_spg140
ThSbH Th2Sb ThH2
2024-03-02 08:14:34.646768
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006579765).
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 agm006579765
data_agm006579765
_cell_length_a 6.31045
_cell_length_b 6.31045
_cell_length_c 6.31045
_cell_angle_alpha 107.95489
_cell_angle_beta 107.95489
_cell_angle_gamma 112.54839
_cell_volume 193.02445
_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
Th1 Th 0.96347 0.87500 0.58847 1.00000
Th2 Th 0.28653 0.37500 0.41153 1.00000
Th3 Th 0.12500 0.71347 0.08847 1.00000
Th4 Th 0.62500 0.03653 0.91153 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.75000 0.25000 0.50000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
H2 H 0.25000 0.75000 0.50000 1.00000
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