Pm6Sn2N
Alexandria ALEXAlex-ID: agm005809698 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2_spg225
Pm3SnN Pm5Sn3 Pm
2023-07-12 21:47:27.078552
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809698).
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 agm005809698
data_agm005809698
_cell_length_a 7.06113
_cell_length_b 7.06113
_cell_length_c 7.06165
_cell_angle_alpha 59.99430
_cell_angle_beta 59.99431
_cell_angle_gamma 60.00444
_cell_volume 248.95282
_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 0.25497 0.25497 0.74451 1.00000
Pm2 Pm 0.25524 0.74512 0.25486 1.00000
Pm3 Pm 0.74476 0.25488 0.74514 1.00000
Pm4 Pm 0.74512 0.25524 0.25486 1.00000
Pm5 Pm 0.25488 0.74476 0.74514 1.00000
Pm6 Pm 0.74503 0.74503 0.25549 1.00000
Sn1 Sn 0.24999 0.24999 0.24981 1.00000
Sn2 Sn 0.75001 0.75001 0.75019 1.00000
N1 N 0.50000 0.50000 0.50000 1.00000
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