Ce2Sm2Sb2H
Alexandria ALEXAlex-ID: agm006451889 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_132_spg139
CeSmSb SmH2 CeSb
2024-03-02 06:31:56.186908
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006451889).
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 agm006451889
data_agm006451889
_cell_length_a 9.27555
_cell_length_b 9.27555
_cell_length_c 9.27555
_cell_angle_alpha 151.86755
_cell_angle_beta 151.86755
_cell_angle_gamma 40.20675
_cell_volume 177.07020
_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 0.00000 0.50000 0.50000 1.00000
Ce2 Ce 0.50000 0.00000 0.50000 1.00000
Sm1 Sm 0.17668 0.17668 0.00000 1.00000
Sm2 Sm 0.82332 0.82332 0.00000 1.00000
Sb1 Sb 0.36066 0.36066 0.00000 1.00000
Sb2 Sb 0.63934 0.63934 0.00000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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