Pm2SnH8
Alexandria ALEXAlex-ID: agm006554686 · 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
AB2C8_881_spg2
SnH2 PmH3
2024-10-14 17:26:19.374696
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006554686).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm006554686
data_agm006554686
_cell_length_a 6.76803
_cell_length_b 6.76803
_cell_length_c 6.76803
_cell_angle_alpha 146.31045
_cell_angle_beta 137.15656
_cell_angle_gamma 55.57896
_cell_volume 116.10770
_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 0.82426 0.82426 0.00000 1.00000
Pm2 Pm 0.17574 0.17574 0.00000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
H1 H 0.60666 0.34489 0.26178 1.00000
H2 H 0.91689 0.65511 0.26178 1.00000
H3 H 0.30675 0.80675 0.50000 1.00000
H4 H 0.23153 0.00000 0.23153 1.00000
H5 H 0.69325 0.19325 0.50000 1.00000
H6 H 0.08311 0.34489 0.73822 1.00000
H7 H 0.39334 0.65511 0.73822 1.00000
H8 H 0.76847 0.00000 0.76847 1.00000
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