RbGa(PO3)4
Alexandria ALEXAlex-ID: agm022050862 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_3_spg12
RbGa(PO3)4
2024-12-03 19:05:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022050862).
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 agm022050862
data_agm022050862
_cell_length_a 10.61591
_cell_length_b 10.61591
_cell_length_c 5.23617
_cell_angle_alpha 80.70383
_cell_angle_beta 99.29617
_cell_angle_gamma 107.14298
_cell_volume 552.40539
_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 0.59668 0.40332 0.25290 1.00000
Rb2 Rb 0.40332 0.59668 0.74710 1.00000
Ga1 Ga 0.50000 0.00000 0.50000 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
P1 P 0.19328 0.34974 0.34118 1.00000
P2 P 0.92711 0.31095 0.03639 1.00000
P3 P 0.68905 0.07289 0.03639 1.00000
P4 P 0.34974 0.19328 0.65882 1.00000
P5 P 0.65026 0.80672 0.34118 1.00000
P6 P 0.31095 0.92711 0.96361 1.00000
P7 P 0.07289 0.68905 0.96361 1.00000
P8 P 0.80672 0.65026 0.65882 1.00000
O1 O 0.58376 0.85792 0.52366 1.00000
O2 O 0.59943 0.10211 0.20304 1.00000
O3 O 0.57305 0.68678 0.21817 1.00000
O4 O 0.85792 0.58376 0.47634 1.00000
O5 O 0.41624 0.14208 0.47634 1.00000
O6 O 0.09292 0.65192 0.25372 1.00000
O7 O 0.78992 0.78992 0.50000 1.00000
O8 O 0.42695 0.31322 0.78183 1.00000
O9 O 0.40057 0.89789 0.79696 1.00000
O10 O 0.28994 0.07107 0.87565 1.00000
O11 O 0.68678 0.57305 0.78183 1.00000
O12 O 0.10211 0.59943 0.79696 1.00000
O13 O 0.14208 0.41624 0.52366 1.00000
O14 O 0.92893 0.71006 0.87565 1.00000
O15 O 0.83821 0.16179 0.10488 1.00000
O16 O 0.89789 0.40057 0.20304 1.00000
O17 O 0.31322 0.42695 0.21817 1.00000
O18 O 0.71006 0.92893 0.12435 1.00000
O19 O 0.21008 0.21008 0.50000 1.00000
O20 O 0.65192 0.09292 0.74628 1.00000
O21 O 0.34808 0.90708 0.25372 1.00000
O22 O 0.16179 0.83821 0.89512 1.00000
O23 O 0.07107 0.28994 0.12435 1.00000
O24 O 0.90708 0.34808 0.74628 1.00000
