Th4CoSn
Alexandria ALEXAlex-ID: agm003735239 · 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
ABC4_1248_spg12
Th3Co Th3Sn2 Th7Co3
2022-04-18 10:04:07.379381
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003735239).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003735239
data_agm003735239
_cell_length_a 6.03123
_cell_length_b 7.04820
_cell_length_c 9.07536
_cell_angle_alpha 112.84971
_cell_angle_beta 107.18694
_cell_angle_gamma 90.00000
_cell_volume 336.74150
_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 0.16827 0.69211 0.38423 1.00000
Th2 Th 0.37886 0.12351 0.75337 1.00000
Th3 Th 1.00000 0.23389 1.00000 1.00000
Th4 Th 0.62114 0.37014 0.24663 1.00000
Th5 Th 0.83173 0.30789 0.61577 1.00000
Th6 Th 0.62114 0.87649 0.24663 1.00000
Th7 Th 0.00000 0.76611 0.00000 1.00000
Th8 Th 0.37886 0.62986 0.75337 1.00000
Co1 Co 0.32653 0.52678 0.05356 1.00000
Co2 Co 0.67347 0.47322 0.94644 1.00000
Sn1 Sn 0.79253 0.80803 0.61607 1.00000
Sn2 Sn 0.20747 0.19197 0.38393 1.00000
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