VSnAsO5
Alexandria ALEXAlex-ID: agm027902871 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_54_spg12
As2O3 SnO2 V2O3
2024-12-05 23:50:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027902871).
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 agm027902871
data_agm027902871
_cell_length_a 5.42426
_cell_length_b 6.77487
_cell_length_c 7.14169
_cell_angle_alpha 112.44911
_cell_angle_beta 107.48128
_cell_angle_gamma 94.60755
_cell_volume 225.62317
_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 0.84197 0.36793 0.24831 1.00000
V2 V 0.15803 0.63207 0.75169 1.00000
Sn1 Sn 0.40907 0.22812 0.46694 1.00000
Sn2 Sn 0.59093 0.77188 0.53306 1.00000
As1 As 0.82881 0.80544 0.09965 1.00000
As2 As 0.17119 0.19456 0.90035 1.00000
O1 O 0.22285 0.50058 0.46304 1.00000
O2 O 0.77715 0.49942 0.53696 1.00000
O3 O 0.92519 0.08057 0.28012 1.00000
O4 O 0.07481 0.91943 0.71988 1.00000
O5 O 0.90327 0.26826 0.96854 1.00000
O6 O 0.09673 0.73174 0.03146 1.00000
O7 O 0.74921 0.65707 0.23111 1.00000
O8 O 0.25079 0.34293 0.76889 1.00000
O9 O 0.56209 0.76974 0.87523 1.00000
O10 O 0.43791 0.23026 0.12477 1.00000
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