Rb3(PH2)2
Alexandria ALEXAlex-ID: agm005607091 · 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
A2B3C4_1004_spg2
RbPH2 Rb2PH RbH
2023-06-27 04:36:07.922770
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607091).
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 agm005607091
data_agm005607091
_cell_length_a 4.16572
_cell_length_b 7.36517
_cell_length_c 10.26059
_cell_angle_alpha 110.18110
_cell_angle_beta 69.66628
_cell_angle_gamma 123.06052
_cell_volume 242.51072
_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
Rb1 Rb 0.67084 0.34092 0.66116 1.00000
Rb2 Rb 0.00000 0.00000 0.00000 1.00000
Rb3 Rb 0.32916 0.65908 0.33884 1.00000
P1 P 0.33819 0.14402 0.33421 1.00000
P2 P 0.66181 0.85598 0.66579 1.00000
H1 H 0.57406 0.26420 0.21881 1.00000
H2 H 0.42594 0.73580 0.78119 1.00000
H3 H 0.99432 0.84163 0.66491 1.00000
H4 H 0.00568 0.15837 0.33509 1.00000
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