Ta4V3Ga5
Alexandria ALEXAlex-ID: agm003382802 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_39_spg12
V6Ga5 V2Ga Ta3Ga2
2022-02-12 09:20:32.138052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003382802).
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 agm003382802
data_agm003382802
_cell_length_a 4.82563
_cell_length_b 5.44156
_cell_length_c 9.23378
_cell_angle_alpha 80.63430
_cell_angle_beta 74.85260
_cell_angle_gamma 63.67863
_cell_volume 209.47176
_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
Ta1 Ta 0.97365 0.18639 0.86630 1.00000
Ta2 Ta 0.20927 0.00093 0.58052 1.00000
Ta3 Ta 0.79073 0.99907 0.41948 1.00000
Ta4 Ta 0.02635 0.81361 0.13370 1.00000
V1 V 0.57887 0.12506 0.71721 1.00000
V2 V 0.00000 0.50000 0.50000 1.00000
V3 V 0.42113 0.87494 0.28279 1.00000
Ga1 Ga 0.71969 0.38027 0.18036 1.00000
Ga2 Ga 0.50000 0.50000 0.50000 1.00000
Ga3 Ga 0.35502 0.23840 0.05156 1.00000
Ga4 Ga 0.64498 0.76160 0.94844 1.00000
Ga5 Ga 0.28031 0.61973 0.81964 1.00000
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