ScV2O2
Alexandria ALEXAlex-ID: agm005284241 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1117_spg141
Sc3VO6 V
2023-05-08 08:20:51.205117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284241).
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 agm005284241
data_agm005284241
_cell_length_a 7.38375
_cell_length_b 7.38375
_cell_length_c 7.38375
_cell_angle_alpha 114.00360
_cell_angle_beta 114.00360
_cell_angle_gamma 100.74346
_cell_volume 304.61725
_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
Sc1 Sc 0.87500 0.12500 0.75000 1.00000
Sc2 Sc 0.37500 0.12500 0.25000 1.00000
Sc3 Sc 0.87500 0.62500 0.75000 1.00000
Sc4 Sc 0.87500 0.12500 0.25000 1.00000
V1 V 0.70182 0.49117 0.21065 1.00000
V2 V 0.28052 0.49117 0.78935 1.00000
V3 V 0.24117 0.53052 0.28935 1.00000
V4 V 0.46948 0.75883 0.71065 1.00000
V5 V 0.04818 0.75883 0.28935 1.00000
V6 V 0.24117 0.95182 0.71065 1.00000
V7 V 0.50883 0.71948 0.21065 1.00000
V8 V 0.50883 0.29818 0.78935 1.00000
O1 O 0.68423 0.34130 0.34293 1.00000
O2 O 0.99838 0.34130 0.65707 1.00000
O3 O 0.09130 0.24838 0.15707 1.00000
O4 O 0.75162 0.90870 0.84293 1.00000
O5 O 0.06577 0.90870 0.15707 1.00000
O6 O 0.09130 0.93423 0.84293 1.00000
O7 O 0.65870 0.00162 0.34293 1.00000
O8 O 0.65870 0.31577 0.65707 1.00000
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