Ba3V3(Ga2O5)4
Alexandria ALEXAlex-ID: agm008688643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8D20_0_spg12
Ba3V3(Ga2O5)4
2024-12-11 10:01:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008688643).
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 agm008688643
data_agm008688643
_cell_length_a 10.09210
_cell_length_b 10.09210
_cell_length_c 5.18763
_cell_angle_alpha 75.76630
_cell_angle_beta 104.23370
_cell_angle_gamma 107.58370
_cell_volume 479.72109
_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
Ba1 Ba 0.78168 0.21832 0.26178 1.00000
Ba2 Ba 0.21832 0.78168 0.73822 1.00000
Ba3 Ba 0.50000 0.50000 0.00000 1.00000
V1 V 0.86332 0.86332 0.50000 1.00000
V2 V 0.13668 0.13668 0.50000 1.00000
V3 V 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.64616 0.92445 0.83710 1.00000
Ga2 Ga 0.35384 0.07555 0.16290 1.00000
Ga3 Ga 0.92445 0.64616 0.16290 1.00000
Ga4 Ga 0.07555 0.35384 0.83710 1.00000
Ga5 Ga 0.51148 0.21524 0.65954 1.00000
Ga6 Ga 0.48852 0.78476 0.34046 1.00000
Ga7 Ga 0.21524 0.51148 0.34046 1.00000
Ga8 Ga 0.78476 0.48852 0.65954 1.00000
O1 O 0.50195 0.78723 0.98728 1.00000
O2 O 0.49805 0.21277 0.01272 1.00000
O3 O 0.78723 0.50195 0.01272 1.00000
O4 O 0.21277 0.49805 0.98728 1.00000
O5 O 0.62780 0.10305 0.67149 1.00000
O6 O 0.37220 0.89695 0.32851 1.00000
O7 O 0.10305 0.62780 0.32851 1.00000
O8 O 0.89695 0.37220 0.67149 1.00000
O9 O 0.93903 0.06097 0.62719 1.00000
O10 O 0.06097 0.93903 0.37281 1.00000
O11 O 0.33372 0.15884 0.43615 1.00000
O12 O 0.66628 0.84116 0.56385 1.00000
O13 O 0.15884 0.33372 0.56385 1.00000
O14 O 0.84116 0.66628 0.43615 1.00000
O15 O 0.80829 0.95405 0.10426 1.00000
O16 O 0.19171 0.04595 0.89574 1.00000
O17 O 0.95405 0.80829 0.89574 1.00000
O18 O 0.04595 0.19171 0.10426 1.00000
O19 O 0.59975 0.40025 0.52126 1.00000
O20 O 0.40025 0.59975 0.47874 1.00000
