Th4Co2Bi3
Alexandria ALEXAlex-ID: agm003340331 · 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
A2B3C4_277_spg12
Th2Co2Bi Th3Bi4 ThCo
2022-01-27 01:52:16.183786
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340331).
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 agm003340331
data_agm003340331
_cell_length_a 5.05527
_cell_length_b 6.37143
_cell_length_c 9.02647
_cell_angle_alpha 107.32964
_cell_angle_beta 90.00000
_cell_angle_gamma 113.37290
_cell_volume 252.43774
_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 0.69255 0.38509 0.13110 1.00000
Th2 Th 0.30745 0.61491 0.86890 1.00000
Th3 Th 0.87213 0.74426 0.59460 1.00000
Th4 Th 0.12787 0.25574 0.40540 1.00000
Co1 Co 0.62477 0.24954 0.38280 1.00000
Co2 Co 0.37523 0.75046 0.61720 1.00000
Bi1 Bi 0.61595 0.23191 0.69759 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.38405 0.76809 0.30241 1.00000
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