LaMgVCrO6
Alexandria ALEXAlex-ID: agm005235873 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE6_4_spg7
LaVO3 MgCr2O4 LaVO4 MgO
2023-05-08 12:15:41.596585
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235873).
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 agm005235873
data_agm005235873
_cell_length_a 5.48027
_cell_length_b 5.32629
_cell_length_c 9.36705
_cell_angle_alpha 55.68789
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 225.83878
_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
La1 La 0.78935 0.25926 0.74709 1.00000
La2 La 0.21065 0.25926 0.24709 1.00000
Mg1 Mg 0.30073 0.75011 0.73530 1.00000
Mg2 Mg 0.69927 0.75011 0.23530 1.00000
V1 V 0.74860 0.49836 0.99944 1.00000
V2 V 0.25140 0.49836 0.49944 1.00000
Cr1 Cr 0.74624 0.00014 0.49831 1.00000
Cr2 Cr 0.25376 0.00014 0.99831 1.00000
O1 O 0.30283 0.82430 0.25421 1.00000
O2 O 0.54644 0.25721 0.96351 1.00000
O3 O 0.51816 0.66044 0.56326 1.00000
O4 O 0.06061 0.37837 0.93688 1.00000
O5 O 0.05531 0.74740 0.55243 1.00000
O6 O 0.77690 0.12441 0.24957 1.00000
O7 O 0.69717 0.82430 0.75421 1.00000
O8 O 0.45356 0.25721 0.46351 1.00000
O9 O 0.48184 0.66044 0.06326 1.00000
O10 O 0.93939 0.37837 0.43688 1.00000
O11 O 0.94469 0.74740 0.05243 1.00000
O12 O 0.22310 0.12441 0.74957 1.00000
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