Pm2SbH7
Alexandria ALEXAlex-ID: agm006205296 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1460_spg12
PmSb2 SbH3 PmH3
2024-02-06 14:08:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205296).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006205296
data_agm006205296
_cell_length_a 3.92363
_cell_length_b 3.95120
_cell_length_c 8.86920
_cell_angle_alpha 91.41709
_cell_angle_beta 77.14416
_cell_angle_gamma 119.78772
_cell_volume 115.74098
_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
H1 H 0.75436 0.24730 0.39574 1.00000
H2 H 0.26181 0.46299 0.59788 1.00000
H3 H 0.36842 0.70749 0.93144 1.00000
H4 H 0.95441 0.00848 0.06293 1.00000
H5 H 0.90189 0.85646 0.49640 1.00000
H6 H 0.20089 0.95349 0.25011 1.00000
H7 H 0.85599 0.75616 0.74310 1.00000
Pm1 Pm 0.57628 0.09132 0.67408 1.00000
Pm2 Pm 0.51579 0.61745 0.31982 1.00000
Sb1 Sb 0.84256 0.35625 0.99667 1.00000
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