Al2V3C
Alexandria ALEXAlex-ID: agm003435342 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1020_spg15
AlV AlV2C
2022-02-22 21:04:52.666360
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003435342).
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 agm003435342
data_agm003435342
_cell_length_a 4.92600
_cell_length_b 6.16938
_cell_length_c 6.16938
_cell_angle_alpha 104.34130
_cell_angle_beta 107.19970
_cell_angle_gamma 107.19970
_cell_volume 159.13977
_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
Al1 Al 0.25000 0.93846 0.06154 1.00000
Al2 Al 0.25000 0.20563 0.79437 1.00000
Al3 Al 0.75000 0.06154 0.93846 1.00000
Al4 Al 0.75000 0.79437 0.20563 1.00000
V1 V 0.96219 0.27463 0.40628 1.00000
V2 V 0.46219 0.40628 0.27463 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 0.03781 0.72537 0.59372 1.00000
V5 V 0.50000 0.00000 0.50000 1.00000
V6 V 0.53781 0.59372 0.72537 1.00000
C1 C 0.25000 0.59684 0.40316 1.00000
C2 C 0.75000 0.40316 0.59684 1.00000
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