TlVO3
Alexandria ALEXAlex-ID: agm080621486 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_10848_spg1
TlVO3
2025-03-14 07:41:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080621486).
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 agm080621486
data_agm080621486
_cell_length_a 7.47288
_cell_length_b 7.77480
_cell_length_c 7.91634
_cell_angle_alpha 94.62480
_cell_angle_beta 90.27180
_cell_angle_gamma 113.18317
_cell_volume 421.09005
_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
Tl1 Tl 0.48116 0.58693 0.92048 1.00000
Tl2 Tl 0.14677 0.23650 0.21789 1.00000
Tl3 Tl 0.50522 0.91908 0.45043 1.00000
Tl4 Tl 0.86594 0.33106 0.74556 1.00000
V1 V 0.65874 0.47067 0.36693 1.00000
V2 V 0.99024 0.86157 0.52325 1.00000
V3 V 0.33235 0.00143 0.86960 1.00000
V4 V 0.03428 0.65550 0.10651 1.00000
O1 O 0.49941 0.52286 0.24773 1.00000
O2 O 0.17390 0.87963 0.67980 1.00000
O3 O 0.56188 0.03635 0.81273 1.00000
O4 O 0.86028 0.47317 0.25272 1.00000
O5 O 0.54439 0.26112 0.44682 1.00000
O6 O 0.86839 0.66075 0.96953 1.00000
O7 O 0.07718 0.83326 0.32450 1.00000
O8 O 0.31677 0.20928 0.92400 1.00000
O9 O 0.76773 0.65997 0.54217 1.00000
O10 O 0.26545 0.86052 0.04350 1.00000
O11 O 0.11117 0.48791 0.02246 1.00000
O12 O 0.93877 0.05244 0.53342 1.00000
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