Ce4GaSb5
Alexandria ALEXAlex-ID: agm003657166 · 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
AB4C5_178_spg12
Ce3Sb4 CeGa3 CeSb2
2022-04-06 17:48:21.411346
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003657166).
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 agm003657166
data_agm003657166
_cell_length_a 4.45972
_cell_length_b 8.38234
_cell_length_c 8.55701
_cell_angle_alpha 70.30676
_cell_angle_beta 105.10502
_cell_angle_gamma 90.00000
_cell_volume 289.41020
_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 0.31326 0.75879 0.62653 1.00000
Ce2 Ce 0.06361 0.70421 0.12722 1.00000
Ce3 Ce 0.68674 0.24121 0.37347 1.00000
Ce4 Ce 0.93639 0.29579 0.87278 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Sb1 Sb 0.70828 0.65229 0.41655 1.00000
Sb2 Sb 0.87321 0.96736 0.74643 1.00000
Sb3 Sb 0.12679 0.03264 0.25357 1.00000
Sb4 Sb 0.50000 0.50000 0.00000 1.00000
Sb5 Sb 0.29172 0.34771 0.58345 1.00000
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