ThTiReGe2
Alexandria ALEXAlex-ID: agm005015705 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1563_spg119
Th3TiGe5 Ti5Ge4 Ti2Re3 Th(Re2Ge)2
2022-07-05 04:51:02.055622
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005015705).
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 agm005015705
data_agm005015705
_cell_length_a 4.10230
_cell_length_b 4.10230
_cell_length_c 6.40650
_cell_angle_alpha 108.67304
_cell_angle_beta 108.67304
_cell_angle_gamma 90.00000
_cell_volume 96.12945
_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 0.00000 0.00000 1.00000
Ti1 Ti 0.25000 0.75000 0.50000 1.00000
Re1 Re 0.75000 0.25000 0.50000 1.00000
Ge1 Ge 0.61361 0.61361 0.22722 1.00000
Ge2 Ge 0.38639 0.38639 0.77278 1.00000
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