Ce3Sb4Rh3
Alexandria ALEXAlex-ID: agm005682553 · 空间群: I-43d (#220)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C4_1_spg220
Ce2Sb4Rh3 Ce3Sb4 CeSbRh
2023-06-29 09:07:16.835955
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682553).
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 agm005682553
data_agm005682553
_cell_length_a 8.44465
_cell_length_b 8.44465
_cell_length_c 8.44465
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 463.57843
_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 0.62500 0.75000 0.87500 1.00000
Ce2 Ce 0.87500 0.25000 0.62500 1.00000
Ce3 Ce 0.12500 0.37500 0.25000 1.00000
Ce4 Ce 0.37500 0.12500 0.75000 1.00000
Ce5 Ce 0.25000 0.87500 0.12500 1.00000
Ce6 Ce 0.75000 0.62500 0.37500 1.00000
Sb1 Sb 0.00000 0.00000 0.33278 1.00000
Sb2 Sb 0.50000 0.33278 0.50000 1.00000
Sb3 Sb 0.66722 0.16722 0.16722 1.00000
Sb4 Sb 0.00000 0.00000 0.83278 1.00000
Sb5 Sb 0.83278 0.50000 0.00000 1.00000
Sb6 Sb 0.50000 0.83278 0.50000 1.00000
Sb7 Sb 0.33278 0.50000 0.00000 1.00000
Sb8 Sb 0.16722 0.66722 0.66722 1.00000
Rh1 Rh 0.12500 0.75000 0.37500 1.00000
Rh2 Rh 0.37500 0.25000 0.12500 1.00000
Rh3 Rh 0.62500 0.87500 0.25000 1.00000
Rh4 Rh 0.87500 0.62500 0.75000 1.00000
Rh5 Rh 0.25000 0.37500 0.62500 1.00000
Rh6 Rh 0.75000 0.12500 0.87500 1.00000
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