CeV(GaO3)2
Alexandria ALEXAlex-ID: agm059541272 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
VGaO3 CeO2 GaO
2025-01-03 06:02:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm059541272).
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 agm059541272
data_agm059541272
_cell_length_a 6.88600
_cell_length_b 6.88600
_cell_length_c 5.59815
_cell_angle_alpha 79.65078
_cell_angle_beta 100.34922
_cell_angle_gamma 98.71472
_cell_volume 254.92326
_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
Ce1 Ce 0.68540 0.68540 0.25000 1.00000
Ce2 Ce 0.31460 0.31460 0.75000 1.00000
V1 V 0.08797 0.08797 0.25000 1.00000
V2 V 0.91203 0.91203 0.75000 1.00000
Ga1 Ga 0.38580 0.81587 0.71637 1.00000
Ga2 Ga 0.81587 0.38580 0.78363 1.00000
Ga3 Ga 0.61420 0.18413 0.28363 1.00000
Ga4 Ga 0.18413 0.61420 0.21637 1.00000
O1 O 0.19629 0.98969 0.62731 1.00000
O2 O 0.98969 0.19629 0.87269 1.00000
O3 O 0.80371 0.01031 0.37269 1.00000
O4 O 0.01031 0.80371 0.12731 1.00000
O5 O 0.64373 0.88930 0.86076 1.00000
O6 O 0.88930 0.64373 0.63924 1.00000
O7 O 0.35627 0.11070 0.13924 1.00000
O8 O 0.11070 0.35627 0.36076 1.00000
O9 O 0.32159 0.59986 0.96274 1.00000
O10 O 0.59986 0.32159 0.53726 1.00000
O11 O 0.67841 0.40014 0.03726 1.00000
O12 O 0.40014 0.67841 0.46274 1.00000
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