MnVGaO4
Alexandria ALEXAlex-ID: agm065572033 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_9_spg74
Mn(GaO2)2 MnV2O4
2025-03-02 12:29:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065572033).
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 agm065572033
data_agm065572033
_cell_length_a 6.14561
_cell_length_b 6.14561
_cell_length_c 6.14561
_cell_angle_alpha 121.31623
_cell_angle_beta 120.76991
_cell_angle_gamma 88.20332
_cell_volume 161.44821
_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
Mn1 Mn 0.12400 0.87400 0.25000 1.00000
Mn2 Mn 0.87600 0.12600 0.75000 1.00000
V1 V 0.00000 0.50000 0.50000 1.00000
V2 V 0.50000 0.50000 0.00000 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Ga2 Ga 0.50000 0.00000 0.00000 1.00000
O1 O 0.26739 0.29200 0.52461 1.00000
O2 O 0.26754 0.73873 0.52881 1.00000
O3 O 0.70993 0.73873 0.97119 1.00000
O4 O 0.26739 0.74277 0.97539 1.00000
O5 O 0.73261 0.25723 0.02461 1.00000
O6 O 0.73246 0.26127 0.47119 1.00000
O7 O 0.29007 0.26127 0.02881 1.00000
O8 O 0.73261 0.70800 0.47539 1.00000
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