ThInH6
Alexandria ALEXAlex-ID: agm007358334 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_668_spg166
InH10 InH2 Th4H15
2024-02-10 16:43:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007358334).
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 agm007358334
data_agm007358334
_cell_length_a 3.74459
_cell_length_b 3.73754
_cell_length_c 6.59000
_cell_angle_alpha 89.98951
_cell_angle_beta 76.27284
_cell_angle_gamma 119.94682
_cell_volume 76.85928
_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 0.00000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.42376 0.21183 0.33537 1.00000
H2 H 0.77737 0.38782 0.87509 1.00000
H3 H 0.74790 0.87402 0.34896 1.00000
H4 H 0.22263 0.61218 0.12491 1.00000
H5 H 0.57624 0.78817 0.66463 1.00000
H6 H 0.25210 0.12598 0.65104 1.00000
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