TlV3O9
Alexandria ALEXAlex-ID: agm005997991 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_33_spg9
TlV3O9
2023-08-10 11:08:48.197406
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997991).
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 agm005997991
data_agm005997991
_cell_length_a 7.44416
_cell_length_b 8.34030
_cell_length_c 9.48722
_cell_angle_alpha 73.42467
_cell_angle_beta 66.90073
_cell_angle_gamma 63.49498
_cell_volume 480.49369
_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 0.00329 0.50047 0.99494 1.00000
Tl2 Tl 0.50131 0.00047 0.49494 1.00000
V1 V 0.78858 0.55152 0.66951 1.00000
V2 V 0.99039 0.05152 0.16951 1.00000
V3 V 0.01237 0.94932 0.81954 1.00000
V4 V 0.21876 0.44932 0.31954 1.00000
V5 V 0.54429 0.25038 0.74375 1.00000
V6 V 0.46159 0.75038 0.24375 1.00000
O1 O 0.35204 0.22244 0.32670 1.00000
O2 O 0.09882 0.72244 0.82670 1.00000
O3 O 0.32100 0.29373 0.89644 1.00000
O4 O 0.48883 0.79373 0.39644 1.00000
O5 O 0.17718 0.03094 0.66766 1.00000
O6 O 0.12422 0.53094 0.16766 1.00000
O7 O 0.68771 0.71013 0.09342 1.00000
O8 O 0.50874 0.21013 0.59342 1.00000
O9 O 0.82551 0.97176 0.32313 1.00000
O10 O 0.87959 0.47176 0.82313 1.00000
O11 O 0.65060 0.77788 0.66263 1.00000
O12 O 0.90889 0.27788 0.16263 1.00000
O13 O 0.39000 0.55733 0.30214 1.00000
O14 O 0.75053 0.05733 0.80214 1.00000
O15 O 0.62341 0.43951 0.68286 1.00000
O16 O 0.25423 0.93951 0.18286 1.00000
O17 O 0.99761 0.00210 0.99511 1.00000
O18 O 0.00518 0.50210 0.49511 1.00000
