RbV(GaO3)2
Alexandria ALEXAlex-ID: agm004976014 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_523_spg15
RbVO3 Ga2O3
2023-01-15 06:36:18.906728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004976014).
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 agm004976014
data_agm004976014
_cell_length_a 6.28792
_cell_length_b 7.51125
_cell_length_c 7.51125
_cell_angle_alpha 106.83018
_cell_angle_beta 76.98476
_cell_angle_gamma 76.98476
_cell_volume 314.38751
_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 0.25000 0.89871 0.10129 1.00000
Rb2 Rb 0.75000 0.10129 0.89871 1.00000
V1 V 0.25000 0.20438 0.79562 1.00000
V2 V 0.75000 0.79562 0.20438 1.00000
Ga1 Ga 0.35445 0.69552 0.54921 1.00000
Ga2 Ga 0.14555 0.45079 0.30448 1.00000
Ga3 Ga 0.64555 0.30448 0.45079 1.00000
Ga4 Ga 0.85445 0.54921 0.69552 1.00000
O1 O 0.23988 0.96379 0.73786 1.00000
O2 O 0.26012 0.26214 0.03621 1.00000
O3 O 0.76012 0.03621 0.26214 1.00000
O4 O 0.73988 0.73786 0.96379 1.00000
O5 O 0.50044 0.78664 0.35126 1.00000
O6 O 0.99956 0.64874 0.21336 1.00000
O7 O 0.49956 0.21336 0.64874 1.00000
O8 O 0.00044 0.35126 0.78664 1.00000
O9 O 0.05258 0.66705 0.57526 1.00000
O10 O 0.44742 0.42474 0.33295 1.00000
O11 O 0.94742 0.33295 0.42474 1.00000
O12 O 0.55258 0.57526 0.66705 1.00000
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