Rb3(GaP2)2
Alexandria ALEXAlex-ID: agm005658706 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_444_spg15
Rb2P3 Rb3GaP2 GaP
2023-06-27 23:11:02.670954
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658706).
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 agm005658706
data_agm005658706
_cell_length_a 7.46148
_cell_length_b 8.71739
_cell_length_c 8.71739
_cell_angle_alpha 77.24547
_cell_angle_beta 78.48870
_cell_angle_gamma 78.48870
_cell_volume 534.68305
_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 0.94080 0.98196 0.25013 1.00000
Rb2 Rb 0.55920 0.74987 0.01804 1.00000
Rb3 Rb 0.05920 0.01804 0.74987 1.00000
Rb4 Rb 0.44080 0.25013 0.98196 1.00000
Rb5 Rb 0.25000 0.58712 0.41288 1.00000
Rb6 Rb 0.75000 0.41288 0.58712 1.00000
Ga1 Ga 0.52406 0.18074 0.40611 1.00000
Ga2 Ga 0.97594 0.59389 0.81926 1.00000
Ga3 Ga 0.47594 0.81926 0.59389 1.00000
Ga4 Ga 0.02406 0.40611 0.18074 1.00000
P1 P 0.39014 0.97997 0.33118 1.00000
P2 P 0.10986 0.66882 0.02003 1.00000
P3 P 0.60986 0.02003 0.66882 1.00000
P4 P 0.89014 0.33118 0.97997 1.00000
P5 P 0.19136 0.20903 0.38264 1.00000
P6 P 0.30864 0.61736 0.79097 1.00000
P7 P 0.80864 0.79097 0.61736 1.00000
P8 P 0.69136 0.38264 0.20903 1.00000
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