Th2TlCo
Alexandria ALEXAlex-ID: agm005765136 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_140_spg63
Th7Co3 Th3(TlCo)2 ThTl
2023-07-11 23:02:25.861408
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005765136).
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 agm005765136
data_agm005765136
_cell_length_a 3.87641
_cell_length_b 7.78791
_cell_length_c 7.21491
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.41087
_cell_volume 210.95899
_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 0.35187 0.70374 0.49785 1.00000
Th2 Th 0.64813 0.29626 0.50215 1.00000
Th3 Th 0.64813 0.29626 0.99785 1.00000
Th4 Th 0.35187 0.70374 0.00215 1.00000
Tl1 Tl 0.00100 0.00200 0.25000 1.00000
Tl2 Tl 0.99900 0.99800 0.75000 1.00000
Co1 Co 0.19490 0.38980 0.25000 1.00000
Co2 Co 0.80510 0.61020 0.75000 1.00000
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