Pm2P2H5
Alexandria ALEXAlex-ID: agm007291369 · 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_328_spg12
PH4 PmH3 PmP
2024-02-09 12:21:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007291369).
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 agm007291369
data_agm007291369
_cell_length_a 3.79560
_cell_length_b 6.19399
_cell_length_c 5.49813
_cell_angle_alpha 89.92343
_cell_angle_beta 108.29697
_cell_angle_gamma 101.86587
_cell_volume 119.82458
_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 0.73722 0.25961 0.14740 1.00000
Pm2 Pm 0.26278 0.74039 0.85260 1.00000
P1 P 0.59843 0.85298 0.43615 1.00000
P2 P 0.40157 0.14702 0.56385 1.00000
H1 H 0.25649 0.43271 0.07213 1.00000
H2 H 0.74351 0.56729 0.92787 1.00000
H3 H 0.20875 0.70853 0.35585 1.00000
H4 H 0.79125 0.29147 0.64415 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
获取直接链接