VGaO4
Alexandria ALEXAlex-ID: agm002173979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_98_spg12
VGaO4
2018-06-16 00:05:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002173979).
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 agm002173979
data_agm002173979
_cell_length_a 3.67386
_cell_length_b 6.38782
_cell_length_c 6.60324
_cell_angle_alpha 106.77645
_cell_angle_beta 89.99847
_cell_angle_gamma 106.71662
_cell_volume 141.51558
_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
O1 O 0.86451 0.73251 0.50400 1.00000
O2 O 0.13176 0.26750 0.49600 1.00000
O3 O 0.94705 0.89776 0.14283 1.00000
O4 O 0.04925 0.10224 0.85720 1.00000
O5 O 0.25359 0.51096 0.15318 1.00000
O6 O 0.74258 0.48904 0.84680 1.00000
O7 O 0.36872 0.74109 0.80443 1.00000
O8 O 0.62754 0.25893 0.19558 1.00000
Ga1 Ga 0.19576 0.39559 0.80430 1.00000
Ga2 Ga 0.80032 0.60438 0.19569 1.00000
V1 V 0.09733 0.19867 0.22872 1.00000
V2 V 0.89871 0.80133 0.77128 1.00000
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