Rb(P3H2)2
Alexandria ALEXAlex-ID: agm011138005 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_799_spg2
RbP15 Rb3P11 PH3
2024-02-19 12:53:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011138005).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm011138005
data_agm011138005
_cell_length_a 5.81322
_cell_length_b 6.09953
_cell_length_c 7.09486
_cell_angle_alpha 86.65148
_cell_angle_beta 109.50449
_cell_angle_gamma 106.41372
_cell_volume 227.28911
_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 0.50000 0.00000 0.00000 1.00000
P1 P 0.59074 0.39120 0.62261 1.00000
P2 P 0.83591 0.33988 0.46077 1.00000
P3 P 0.40926 0.60880 0.37739 1.00000
P4 P 0.88822 0.61082 0.89705 1.00000
P5 P 0.16409 0.66012 0.53923 1.00000
P6 P 0.11178 0.38918 0.10295 1.00000
H1 H 0.29179 0.43669 0.99721 1.00000
H2 H 0.96771 0.20769 0.60848 1.00000
H3 H 0.03229 0.79231 0.39152 1.00000
H4 H 0.70821 0.56331 0.00279 1.00000
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