V4Cr
Alexandria ALEXAlex-ID: agm017697560 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_1704_spg2
V5Cr2 V
2024-12-04 16:47:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017697560).
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 agm017697560
data_agm017697560
_cell_length_a 7.71617
_cell_length_b 7.71617
_cell_length_c 5.94286
_cell_angle_alpha 79.18602
_cell_angle_beta 100.81398
_cell_angle_gamma 157.94951
_cell_volume 130.38798
_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 0.90083 0.09917 0.45049 1.00000
V2 V 0.09917 0.90083 0.54951 1.00000
V3 V 0.69853 0.30147 0.34456 1.00000
V4 V 0.30147 0.69853 0.65544 1.00000
V5 V 0.49955 0.50045 0.75895 1.00000
V6 V 0.30315 0.69685 0.14584 1.00000
V7 V 0.50045 0.49955 0.24105 1.00000
V8 V 0.69685 0.30315 0.85416 1.00000
Cr1 Cr 0.10043 0.89957 0.05081 1.00000
Cr2 Cr 0.89957 0.10043 0.94919 1.00000
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