Rb6P4H
Alexandria ALEXAlex-ID: agm011136626 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_805_spg8
Rb2PH Rb5P4 Rb
2024-02-19 13:21:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011136626).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm011136626
data_agm011136626
_cell_length_a 8.20575
_cell_length_b 8.20575
_cell_length_c 7.86726
_cell_angle_alpha 82.18151
_cell_angle_beta 82.18151
_cell_angle_gamma 115.09566
_cell_volume 464.05823
_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 0.02861 0.56650 0.26154 1.00000
Rb2 Rb 0.32765 0.32765 0.41269 1.00000
Rb3 Rb 0.43857 0.76180 0.71747 1.00000
Rb4 Rb 0.98210 0.98210 0.91771 1.00000
Rb5 Rb 0.56650 0.02861 0.26154 1.00000
Rb6 Rb 0.76180 0.43857 0.71747 1.00000
P1 P 0.93212 0.93212 0.43913 1.00000
P2 P 0.70836 0.70836 0.36726 1.00000
P3 P 0.85779 0.12791 0.55301 1.00000
P4 P 0.12791 0.85779 0.55301 1.00000
H1 H 0.04810 0.04810 0.26828 1.00000
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