Ti3V2Ga3
Alexandria ALEXAlex-ID: agm010056415 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_5_spg193
Ti3V2Ga3
2025-01-22 02:15:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010056415).
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 agm010056415
data_agm010056415
_cell_length_a 7.50655
_cell_length_b 7.50655
_cell_length_c 5.08184
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 247.98870
_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 0.24137 0.00000 0.25000 1.00000
Ti2 Ti 0.24137 0.24137 0.75000 1.00000
Ti3 Ti 0.00000 0.75863 0.75000 1.00000
Ti4 Ti 0.00000 0.24137 0.25000 1.00000
Ti5 Ti 0.75863 0.75863 0.25000 1.00000
Ti6 Ti 0.75863 0.00000 0.75000 1.00000
V1 V 0.66667 0.33333 0.00000 1.00000
V2 V 0.33333 0.66667 0.50000 1.00000
V3 V 0.66667 0.33333 0.50000 1.00000
V4 V 0.33333 0.66667 0.00000 1.00000
Ga1 Ga 0.60052 0.00000 0.25000 1.00000
Ga2 Ga 0.39948 0.00000 0.75000 1.00000
Ga3 Ga 0.00000 0.60052 0.25000 1.00000
Ga4 Ga 0.00000 0.39948 0.75000 1.00000
Ga5 Ga 0.60052 0.60052 0.75000 1.00000
Ga6 Ga 0.39948 0.39948 0.25000 1.00000
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