Sn3P2H9
Alexandria ALEXAlex-ID: agm006192141 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_1366_spg1
PH4 Sn SnH2
2024-02-02 08:56:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006192141).
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 agm006192141
data_agm006192141
_cell_length_a 6.29383
_cell_length_b 5.70851
_cell_length_c 10.30152
_cell_angle_alpha 111.90230
_cell_angle_beta 74.46386
_cell_angle_gamma 135.21402
_cell_volume 241.91072
_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
P1 P 0.32357 0.71078 0.65021 1.00000
P2 P 0.63030 0.22047 0.36602 1.00000
Sn1 Sn 0.16519 0.64507 0.03942 1.00000
Sn2 Sn 0.17500 0.22609 0.14509 1.00000
Sn3 Sn 0.78988 0.66566 0.87904 1.00000
H1 H 0.74840 0.54534 0.36540 1.00000
H2 H 0.76101 0.35772 0.49901 1.00000
H3 H 0.47670 0.76725 0.91493 1.00000
H4 H 0.32800 0.66669 0.50336 1.00000
H5 H 0.62433 0.85724 0.65048 1.00000
H6 H 0.35008 0.11284 0.42729 1.00000
H7 H 0.19088 0.36800 0.62990 1.00000
H8 H 0.89151 0.39131 0.89245 1.00000
H9 H 0.54515 0.46552 0.03740 1.00000
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