Pm2Sn2H5
Alexandria ALEXAlex-ID: agm007368693 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_745_spg2
PmSn3 PmH3 Sn
2025-05-27 00:14:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007368693).
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 agm007368693
data_agm007368693
_cell_length_a 4.03426
_cell_length_b 5.60302
_cell_length_c 6.30201
_cell_angle_alpha 111.08088
_cell_angle_beta 90.16295
_cell_angle_gamma 90.71356
_cell_volume 132.90294
_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 0.76222 0.59604 0.78479 1.00000
Pm2 Pm 0.23778 0.40396 0.21521 1.00000
Sn1 Sn 0.24584 0.06133 0.67298 1.00000
Sn2 Sn 0.75416 0.93867 0.32702 1.00000
H1 H 0.74417 0.37706 0.01607 1.00000
H2 H 0.25583 0.62294 0.98393 1.00000
H3 H 0.25638 0.54537 0.59627 1.00000
H4 H 0.74362 0.45463 0.40373 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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