Th5Ga2Co
Alexandria ALEXAlex-ID: agm003471007 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_413_spg107
Th2Ga Th7Co3 ThGa
2022-05-02 15:41:46.156997
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003471007).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003471007
data_agm003471007
_cell_length_a 7.62771
_cell_length_b 7.65435
_cell_length_c 6.53637
_cell_angle_alpha 126.00388
_cell_angle_beta 125.69493
_cell_angle_gamma 89.99846
_cell_volume 213.85637
_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 0.74938 0.24577 0.00123 1.00000
Th2 Th 0.25184 0.24575 0.00120 1.00000
Th3 Th 0.75301 0.74850 0.99148 1.00000
Th4 Th 0.23847 0.74849 0.99146 1.00000
Th5 Th 0.70348 0.71853 0.40698 1.00000
Ga1 Ga 0.24334 0.74135 0.48667 1.00000
Ga2 Ga 0.74554 0.23297 0.49110 1.00000
Co1 Co 0.09194 0.09564 0.18389 1.00000
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