V6Ga2W
Alexandria ALEXAlex-ID: agm005754626 · Space group: P-31m (#162)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_735_spg191
V3Ga V2W5 V2Ga
2023-07-12 23:05:54.316271
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754626).
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 agm005754626
data_agm005754626
_cell_length_a 2.61238
_cell_length_b 7.94532
_cell_length_c 7.94084
_cell_angle_alpha 56.33643
_cell_angle_beta 70.68248
_cell_angle_gamma 70.61983
_cell_volume 127.12509
_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 0.49318 0.50016 0.16909 1.00000
V2 V 0.50682 0.49984 0.83091 1.00000
V3 V 0.82840 0.83092 0.49980 1.00000
V4 V 0.16139 0.16956 0.83108 1.00000
V5 V 0.83861 0.83044 0.16892 1.00000
V6 V 0.17160 0.16908 0.50020 1.00000
Ga1 Ga 0.16798 0.16635 0.16728 1.00000
Ga2 Ga 0.83202 0.83365 0.83272 1.00000
W1 W 0.50000 0.50000 0.50000 1.00000
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