RbP2H7
Alexandria ALEXAlex-ID: agm006200545 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_746_spg2
RbPH2 RbPH10 PH3
2024-02-06 14:03:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200545).
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 agm006200545
data_agm006200545
_cell_length_a 7.69500
_cell_length_b 6.81287
_cell_length_c 6.80608
_cell_angle_alpha 29.29620
_cell_angle_beta 66.59380
_cell_angle_gamma 51.84446
_cell_volume 127.66521
_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 0.89694 0.84987 0.64843 1.00000
P2 P 0.10306 0.15013 0.35157 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.34081 0.75987 0.43567 1.00000
H3 H 0.40887 0.93569 0.74890 1.00000
H4 H 0.59113 0.06431 0.25110 1.00000
H5 H 0.56151 0.04727 0.17383 1.00000
H6 H 0.43849 0.95273 0.82617 1.00000
H7 H 0.65919 0.24013 0.56433 1.00000
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