V4CrC
Alexandria ALEXAlex-ID: agm003753201 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1357_spg14
V5Cr2 V5Cr3 V2C
2022-04-18 08:09:10.462471
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003753201).
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 agm003753201
data_agm003753201
_cell_length_a 4.88582
_cell_length_b 5.86195
_cell_length_c 5.35475
_cell_angle_alpha 104.10165
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 148.74113
_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 0.15262 0.69777 0.09960 1.00000
V2 V 0.34738 0.19777 0.09960 1.00000
V3 V 0.60150 0.62930 0.35789 1.00000
V4 V 0.10150 0.87070 0.64211 1.00000
V5 V 0.89850 0.12930 0.35789 1.00000
V6 V 0.39850 0.37070 0.64211 1.00000
V7 V 0.65262 0.80223 0.90040 1.00000
V8 V 0.84738 0.30223 0.90040 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.00000 0.50000 1.00000
C1 C 0.50000 0.50000 0.00000 1.00000
C2 C 0.00000 0.00000 0.00000 1.00000
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