V4Cr3Ga2
Alexandria ALEXAlex-ID: agm005683085 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1062_spg2
VCr2 V6Ga5 V2Ga
2023-06-29 08:51:28.464144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683085).
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 agm005683085
data_agm005683085
_cell_length_a 4.88969
_cell_length_b 6.73825
_cell_length_c 7.36182
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 99.57288
_cell_volume 239.17918
_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 0.68079 0.10275 0.67418 1.00000
V2 V 0.81921 0.89725 0.17418 1.00000
V3 V 0.31921 0.89725 0.32582 1.00000
V4 V 0.18079 0.10275 0.82582 1.00000
V5 V 0.95331 0.56199 0.16370 1.00000
V6 V 0.54669 0.43801 0.66370 1.00000
V7 V 0.04669 0.43801 0.83630 1.00000
V8 V 0.45331 0.56199 0.33630 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.50000 0.00000 1.00000
Cr3 Cr 0.68045 0.18021 0.98119 1.00000
Cr4 Cr 0.81955 0.81979 0.48119 1.00000
Cr5 Cr 0.31955 0.81979 0.01881 1.00000
Cr6 Cr 0.18045 0.18021 0.51881 1.00000
Ga1 Ga 0.68018 0.22589 0.34031 1.00000
Ga2 Ga 0.81982 0.77411 0.84031 1.00000
Ga3 Ga 0.31982 0.77411 0.65969 1.00000
Ga4 Ga 0.18018 0.22589 0.15969 1.00000
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