MgVO4
Alexandria ALEXAlex-ID: agm005864151 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_303_spg14
Mg2V2O7 VO3 MgO8
2023-07-31 00:04:54.585964
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005864151).
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 agm005864151
data_agm005864151
_cell_length_a 6.53385
_cell_length_b 8.16920
_cell_length_c 6.41569
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 109.72940
_cell_volume 322.34331
_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
Mg1 Mg 0.43180 0.30977 0.88841 1.00000
Mg2 Mg 0.06820 0.19023 0.38841 1.00000
Mg3 Mg 0.93180 0.80977 0.61159 1.00000
Mg4 Mg 0.56820 0.69023 0.11159 1.00000
V1 V 0.86132 0.13253 0.89584 1.00000
V2 V 0.63868 0.36747 0.39584 1.00000
V3 V 0.36132 0.63253 0.60416 1.00000
V4 V 0.13868 0.86747 0.10416 1.00000
O1 O 0.69511 0.94511 0.02421 1.00000
O2 O 0.94075 0.06478 0.66505 1.00000
O3 O 0.77227 0.22747 0.34604 1.00000
O4 O 0.39074 0.26700 0.54833 1.00000
O5 O 0.72773 0.27253 0.84604 1.00000
O6 O 0.10926 0.23300 0.04833 1.00000
O7 O 0.55925 0.43522 0.16505 1.00000
O8 O 0.80489 0.55489 0.52421 1.00000
O9 O 0.19511 0.44511 0.47579 1.00000
O10 O 0.44075 0.56478 0.83495 1.00000
O11 O 0.89074 0.76700 0.95167 1.00000
O12 O 0.27227 0.72747 0.15396 1.00000
O13 O 0.60926 0.73300 0.45167 1.00000
O14 O 0.22773 0.77253 0.65396 1.00000
O15 O 0.05925 0.93522 0.33495 1.00000
O16 O 0.30489 0.05489 0.97579 1.00000
