Rb5(GaP2)2
Alexandria ALEXAlex-ID: agm005654593 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_314_spg12
Rb2P3 Rb3GaP2 GaP
2023-06-22 09:52:22.879389
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654593).
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 agm005654593
data_agm005654593
_cell_length_a 4.01216
_cell_length_b 10.14099
_cell_length_c 10.18085
_cell_angle_alpha 100.57628
_cell_angle_beta 101.36418
_cell_angle_gamma 90.00000
_cell_volume 398.92995
_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 0.85744 0.54023 0.71488 1.00000
Rb2 Rb 0.14256 0.45977 0.28512 1.00000
Rb3 Rb 0.82880 0.00294 0.65760 1.00000
Rb4 Rb 0.50000 0.00000 0.00000 1.00000
Rb5 Rb 0.17120 0.99706 0.34240 1.00000
Ga1 Ga 0.41504 0.27318 0.83008 1.00000
Ga2 Ga 0.58496 0.72682 0.16992 1.00000
P1 P 0.29928 0.26514 0.59856 1.00000
P2 P 0.02166 0.74546 0.04333 1.00000
P3 P 0.70072 0.73486 0.40144 1.00000
P4 P 0.97834 0.25454 0.95667 1.00000
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