Th4Ge3H2
Alexandria ALEXAlex-ID: agm006347697 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_283_spg15
ThGe ThH2
2024-02-23 21:46:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006347697).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006347697
data_agm006347697
_cell_length_a 7.71356
_cell_length_b 7.71356
_cell_length_c 7.23118
_cell_angle_alpha 81.75614
_cell_angle_beta 81.75614
_cell_angle_gamma 78.99570
_cell_volume 414.98132
_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 0.72823 0.08038 0.02420 1.00000
Th2 Th 0.91962 0.27177 0.47580 1.00000
Th3 Th 0.27177 0.91962 0.97580 1.00000
Th4 Th 0.08038 0.72823 0.52420 1.00000
Th5 Th 0.59173 0.74493 0.39691 1.00000
Th6 Th 0.25507 0.40827 0.10309 1.00000
Th7 Th 0.40827 0.25507 0.60309 1.00000
Th8 Th 0.74493 0.59173 0.89691 1.00000
Ge1 Ge 0.73011 0.96090 0.64695 1.00000
Ge2 Ge 0.03910 0.26989 0.85305 1.00000
Ge3 Ge 0.26989 0.03910 0.35305 1.00000
Ge4 Ge 0.96090 0.73011 0.14695 1.00000
Ge5 Ge 0.60573 0.39427 0.25000 1.00000
Ge6 Ge 0.39427 0.60573 0.75000 1.00000
H1 H 0.56657 0.83227 0.06626 1.00000
H2 H 0.16773 0.43343 0.43374 1.00000
H3 H 0.43343 0.16773 0.93374 1.00000
H4 H 0.83227 0.56657 0.56626 1.00000
获取直接链接