LaVCrO6
Alexandria ALEXAlex-ID: agm005286252 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_20_spg1
LaVO4 CrO2
2023-04-21 04:45:26.888642
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286252).
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 agm005286252
data_agm005286252
_cell_length_a 5.29168
_cell_length_b 5.35498
_cell_length_c 5.41828
_cell_angle_alpha 119.09793
_cell_angle_beta 118.73026
_cell_angle_gamma 90.89846
_cell_volume 111.23462
_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 0.26720 0.76731 0.02538 1.00000
V1 V 0.02895 0.02931 0.54924 1.00000
Cr1 Cr 0.52210 0.52202 0.53518 1.00000
O1 O 0.21590 0.73287 0.51402 1.00000
O2 O 0.28531 0.20797 0.48804 1.00000
O3 O 0.71211 0.78941 0.48860 1.00000
O4 O 0.74999 0.74830 0.98934 1.00000
O5 O 0.25444 0.25614 0.00109 1.00000
O6 O 0.80539 0.28850 0.51075 1.00000
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