Th2Co5C
Alexandria ALEXAlex-ID: agm003479063 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_25_spg107
Th2Co17 Th4Co13C4 ThCo
2022-02-20 09:42:05.113148
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003479063).
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 agm003479063
data_agm003479063
_cell_length_a 5.58952
_cell_length_b 5.58952
_cell_length_c 5.58952
_cell_angle_alpha 86.61949
_cell_angle_beta 121.97056
_cell_angle_gamma 121.97056
_cell_volume 119.57885
_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 0.50000 0.24741 0.74741 1.00000
Th2 Th 0.50000 0.74741 0.24741 1.00000
Co1 Co 0.50329 0.74624 0.74624 1.00000
Co2 Co 1.00000 0.74624 0.24295 1.00000
Co3 Co 1.00000 0.24295 0.74624 1.00000
Co4 Co 0.49671 0.24295 0.24295 1.00000
Co5 Co 0.00000 0.24743 0.24743 1.00000
C1 C 0.00000 0.00142 0.00142 1.00000
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