Th2FeGe2
Alexandria ALEXAlex-ID: agm003402811 · 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
AB2C2_43_spg12
ThFeGe ThGe
2022-02-10 08:30:12.756705
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003402811).
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 agm003402811
data_agm003402811
_cell_length_a 4.11765
_cell_length_b 5.87593
_cell_length_c 9.97384
_cell_angle_alpha 84.81945
_cell_angle_beta 78.08722
_cell_angle_gamma 69.48927
_cell_volume 221.10889
_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 0.70699 0.22864 0.35739 1.00000
Th2 Th 0.89716 0.31422 0.89146 1.00000
Th3 Th 0.29301 0.77136 0.64261 1.00000
Th4 Th 0.10284 0.68578 0.10854 1.00000
Fe1 Fe 0.53924 0.21659 0.70493 1.00000
Fe2 Fe 0.46076 0.78341 0.29507 1.00000
Ge1 Ge 0.04648 0.32050 0.58653 1.00000
Ge2 Ge 0.61819 0.88700 0.87663 1.00000
Ge3 Ge 0.95352 0.67950 0.41347 1.00000
Ge4 Ge 0.38181 0.11300 0.12337 1.00000
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