RbP8H
Alexandria ALEXAlex-ID: agm011136832 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_52_spg1
RbP15 Rb3P11 PH3
2024-02-19 13:24:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011136832).
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 agm011136832
data_agm011136832
_cell_length_a 6.46173
_cell_length_b 6.53744
_cell_length_c 7.83620
_cell_angle_alpha 66.00322
_cell_angle_beta 70.44241
_cell_angle_gamma 60.59606
_cell_volume 259.63503
_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 0.32497 0.95907 0.37254 1.00000
P1 P 0.86053 0.70712 0.90421 1.00000
P2 P 0.08519 0.47295 0.70939 1.00000
P3 P 0.68369 0.33779 0.65377 1.00000
P4 P 0.62216 0.00839 0.69669 1.00000
P5 P 0.60645 0.53248 0.09709 1.00000
P6 P 0.38970 0.25730 0.87621 1.00000
P7 P 0.97596 0.16083 0.82713 1.00000
P8 P 0.82953 0.14679 0.12452 1.00000
H1 H 0.46398 0.60194 0.95936 1.00000
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