Pm5Sm2Sb5
Alexandria ALEXAlex-ID: agm003374589 · 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
A2B5C5_55_spg12
Pm3Sm2Sb3 Pm3SmSb4 Pm5Sb3
2022-02-08 20:52:35.880900
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374589).
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 agm003374589
data_agm003374589
_cell_length_a 4.43479
_cell_length_b 7.59528
_cell_length_c 12.94701
_cell_angle_alpha 107.58384
_cell_angle_beta 90.00000
_cell_angle_gamma 106.97437
_cell_volume 395.74831
_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
Pm1 Pm 0.50000 0.00000 0.50000 1.00000
Pm2 Pm 0.65926 0.31851 0.04054 1.00000
Pm3 Pm 0.72747 0.45494 0.34639 1.00000
Pm4 Pm 0.27253 0.54506 0.65361 1.00000
Pm5 Pm 0.34074 0.68149 0.95946 1.00000
Sm1 Sm 0.03994 0.07988 0.78410 1.00000
Sm2 Sm 0.96006 0.92012 0.21590 1.00000
Sb1 Sb 0.12028 0.24057 0.43102 1.00000
Sb2 Sb 0.69328 0.38655 0.79492 1.00000
Sb3 Sb 0.30672 0.61345 0.20508 1.00000
Sb4 Sb 0.87972 0.75943 0.56898 1.00000
Sb5 Sb 0.00000 0.00000 0.00000 1.00000
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