Ce2ThSb
Alexandria ALEXAlex-ID: agm005677722 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_4413_spg11
Ce2Sb Th
2023-07-13 11:15:34.582227
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677722).
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 agm005677722
data_agm005677722
_cell_length_a 5.44891
_cell_length_b 6.51003
_cell_length_c 6.38983
_cell_angle_alpha 82.84228
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 224.89736
_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
Ce1 Ce 0.25000 0.88914 0.51542 1.00000
Ce2 Ce 0.75000 0.11086 0.48458 1.00000
Ce3 Ce 0.25000 0.82160 0.08195 1.00000
Ce4 Ce 0.75000 0.17840 0.91805 1.00000
Th1 Th 0.25000 0.41896 0.67235 1.00000
Th2 Th 0.75000 0.58104 0.32765 1.00000
Sb1 Sb 0.25000 0.30377 0.19085 1.00000
Sb2 Sb 0.75000 0.69623 0.80915 1.00000
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