V2ReSnO8
Alexandria ALEXAlex-ID: agm004900501 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
SnO2 ReO3 V2O3
2023-01-07 05:11:55.612508
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900501).
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 agm004900501
data_agm004900501
_cell_length_a 4.66367
_cell_length_b 4.66241
_cell_length_c 6.34120
_cell_angle_alpha 90.00007
_cell_angle_beta 90.00020
_cell_angle_gamma 90.77877
_cell_volume 137.87020
_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
V1 V 0.49996 0.49998 0.75041 1.00000
V2 V 0.50004 0.50002 0.24959 1.00000
Re1 Re 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
O1 O 0.19513 0.80454 0.23401 1.00000
O2 O 0.71028 0.71055 1.00000 1.00000
O3 O 0.80488 0.19548 0.23405 1.00000
O4 O 0.80487 0.19546 0.76599 1.00000
O5 O 0.28972 0.28945 0.00000 1.00000
O6 O 0.19512 0.80452 0.76595 1.00000
O7 O 0.68905 0.68945 0.50000 1.00000
O8 O 0.31095 0.31055 0.50000 1.00000
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