AlV2Cr
Alexandria ALEXAlex-ID: agm005653073 · Space group: Pmma (#51)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9011_spg51
VCr AlV
2023-07-11 19:12:24.160437
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653073).
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 agm005653073
data_agm005653073
_cell_length_a 4.15773
_cell_length_b 8.48424
_cell_length_c 6.05232
_cell_angle_alpha 89.99935
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 213.49652
_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 0.74982 0.75000 0.86303 1.00000
Al2 Al 0.24982 0.75000 0.13697 1.00000
Al3 Al 0.75018 0.25000 0.86303 1.00000
Al4 Al 0.25018 0.25000 0.13697 1.00000
V1 V 0.25000 0.50000 0.85596 1.00000
V2 V 0.25000 0.00000 0.85596 1.00000
V3 V 0.75000 0.00000 0.61847 1.00000
V4 V 0.75000 1.00000 0.14404 1.00000
V5 V 0.25000 1.00000 0.38153 1.00000
V6 V 0.25000 0.50000 0.38153 1.00000
V7 V 0.75000 0.50000 0.14404 1.00000
V8 V 0.75000 0.50000 0.61847 1.00000
Cr1 Cr 0.75008 0.25000 0.38913 1.00000
Cr2 Cr 0.74992 0.75000 0.38913 1.00000
Cr3 Cr 0.24992 0.75000 0.61087 1.00000
Cr4 Cr 0.25008 0.25000 0.61087 1.00000
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