V(Cr2Re)2
Alexandria ALEXAlex-ID: agm006048635 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3511_spg1
Cr7Re6 Cr VRe
2023-10-16 14:18:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006048635).
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 agm006048635
data_agm006048635
_cell_length_a 4.89424
_cell_length_b 7.16158
_cell_length_c 6.64847
_cell_angle_alpha 122.05937
_cell_angle_beta 79.03043
_cell_angle_gamma 112.11130
_cell_volume 182.95612
_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 0.35466 0.71510 0.51142 1.00000
V2 V 0.09316 0.88641 0.03486 1.00000
Cr1 Cr 0.91376 0.25516 0.35682 1.00000
Cr2 Cr 0.07834 0.35093 0.03699 1.00000
Cr3 Cr 0.83791 0.03043 0.55516 1.00000
Cr4 Cr 0.39016 0.12375 0.42796 1.00000
Cr5 Cr 0.79639 0.63666 0.64328 1.00000
Cr6 Cr 0.63825 0.00170 0.93758 1.00000
Cr7 Cr 0.96147 0.69831 0.29892 1.00000
Cr8 Cr 0.22133 0.04653 0.75769 1.00000
Re1 Re 0.68678 0.38488 0.83935 1.00000
Re2 Re 0.48877 0.35545 0.22836 1.00000
Re3 Re 0.24474 0.49741 0.73166 1.00000
Re4 Re 0.54428 0.76729 0.13995 1.00000
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