PmPrSn
Alexandria ALEXAlex-ID: agm070057524 · 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
ABC_703_spg2
Pm2(PrSn)3 Pm5Sn3 Pr
2025-04-14 00:21:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070057524).
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 agm070057524
data_agm070057524
_cell_length_a 4.70590
_cell_length_b 4.70590
_cell_length_c 9.34886
_cell_angle_alpha 75.45172
_cell_angle_beta 104.54828
_cell_angle_gamma 90.00377
_cell_volume 193.53234
_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 0.00000 0.50000 0.50000 1.00000
Pm2 Pm 0.50000 0.00000 0.50000 1.00000
Pr1 Pr 0.17811 0.82189 0.85643 1.00000
Pr2 Pr 0.82189 0.17811 0.14357 1.00000
Sn1 Sn 0.36532 0.63468 0.22973 1.00000
Sn2 Sn 0.63468 0.36532 0.77027 1.00000
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