TiV3
Alexandria ALEXAlex-ID: agm003296154 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_50_spg166
V Ti
2022-01-17 10:45:09.755837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003296154).
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 agm003296154
data_agm003296154
_cell_length_a 5.19939
_cell_length_b 5.19939
_cell_length_c 8.28208
_cell_angle_alpha 90.07201
_cell_angle_beta 108.21112
_cell_angle_gamma 120.01242
_cell_volume 180.75236
_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
Ti1 Ti 0.29177 0.14602 0.43779 1.00000
Ti2 Ti 0.70823 0.85398 0.56221 1.00000
Ti3 Ti 0.00000 0.00000 0.00000 1.00000
V1 V 0.66525 0.07923 0.25106 1.00000
V2 V 0.17183 0.58581 0.25106 1.00000
V3 V 0.66512 0.58588 0.25100 1.00000
V4 V 0.00000 0.50000 0.50000 1.00000
V5 V 0.33405 0.66702 0.00107 1.00000
V6 V 0.66595 0.33298 0.99893 1.00000
V7 V 0.82817 0.41419 0.74894 1.00000
V8 V 0.33475 0.92077 0.74894 1.00000
V9 V 0.33488 0.41412 0.74900 1.00000
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