PrSm2Sb3
Alexandria ALEXAlex-ID: agm005656312 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_873_spg71
PrSm3Sb4 Pr3SmSb4
2023-08-24 17:25:46.033461
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656312).
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 agm005656312
data_agm005656312
_cell_length_a 4.50390
_cell_length_b 6.36054
_cell_length_c 7.79418
_cell_angle_alpha 114.08124
_cell_angle_beta 106.79376
_cell_angle_gamma 90.00000
_cell_volume 193.37202
_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
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.83404 0.83404 0.16807 1.00000
Sm2 Sm 0.16596 0.16596 0.83193 1.00000
Sb1 Sb 0.83048 0.33048 0.16096 1.00000
Sb2 Sb 0.16952 0.66952 0.83904 1.00000
Sb3 Sb 0.50000 0.00000 0.50000 1.00000
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