Rb2P4H5
Alexandria ALEXAlex-ID: agm011136834 · 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
A2B4C5_1786_spg1
RbPH2 PH3 Rb3P7
2024-02-19 13:16:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011136834).
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 agm011136834
data_agm011136834
_cell_length_a 4.39598
_cell_length_b 5.86961
_cell_length_c 9.84921
_cell_angle_alpha 92.94863
_cell_angle_beta 101.94349
_cell_angle_gamma 90.31809
_cell_volume 248.27173
_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 0.96739 0.96671 0.99457 1.00000
Rb2 Rb 0.20891 0.70355 0.51317 1.00000
P1 P 0.58723 0.85216 0.25508 1.00000
P2 P 0.35853 0.19423 0.74170 1.00000
P3 P 0.77593 0.30835 0.66365 1.00000
P4 P 0.37156 0.44795 0.91481 1.00000
H1 H 0.74016 0.13151 0.55463 1.00000
H2 H 0.69839 0.45106 0.97417 1.00000
H3 H 0.79771 0.68103 0.22294 1.00000
H4 H 0.83128 0.02209 0.29095 1.00000
H5 H 0.39496 0.65836 0.84705 1.00000
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