V13Ga3
Alexandria ALEXAlex-ID: agm005533166 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B13_17_spg38
V13Ga3
2023-05-27 19:17:14.363350
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005533166).
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
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# CIF generated by HEAS from Alexandria entry agm005533166
data_agm005533166
_cell_length_a 5.24992
_cell_length_b 5.24992
_cell_length_c 8.49552
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.45722
_cell_volume 217.92185
_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
V1 V 0.99153 0.51142 0.74621 1.00000
V2 V 0.49708 0.50292 0.75523 1.00000
V3 V 0.48858 0.00847 0.74621 1.00000
V4 V 0.77739 0.72800 0.00000 1.00000
V5 V 0.27200 0.22261 0.00000 1.00000
V6 V 0.76512 0.23488 0.00000 1.00000
V7 V 0.99153 0.51142 0.25379 1.00000
V8 V 0.49708 0.50292 0.24477 1.00000
V9 V 0.48858 0.00847 0.25379 1.00000
V10 V 0.23870 0.76130 0.50000 1.00000
V11 V 0.72035 0.72992 0.50000 1.00000
V12 V 0.27008 0.27965 0.50000 1.00000
V13 V 0.74841 0.25159 0.50000 1.00000
Ga1 Ga 0.98491 0.01509 0.74150 1.00000
Ga2 Ga 0.28374 0.71626 0.00000 1.00000
Ga3 Ga 0.98491 0.01509 0.25850 1.00000
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