V3CrRe3
Alexandria ALEXAlex-ID: agm005993551 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
Cr VRe
2023-08-06 21:05:49.619711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993551).
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 agm005993551
data_agm005993551
_cell_length_a 5.95509
_cell_length_b 5.95509
_cell_length_c 5.89477
_cell_angle_alpha 90.00004
_cell_angle_beta 90.00004
_cell_angle_gamma 88.92313
_cell_volume 209.00964
_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 0.27373 0.27373 0.50000 1.00000
V2 V 0.24487 0.75513 0.50000 1.00000
V3 V 0.75513 0.24487 0.50000 1.00000
V4 V 0.29796 0.70204 0.00000 1.00000
V5 V 0.70204 0.29796 1.00000 1.00000
V6 V 0.72627 0.72627 0.50000 1.00000
Cr1 Cr 0.23858 0.23858 0.00000 1.00000
Cr2 Cr 0.76142 0.76142 1.00000 1.00000
Re1 Re 0.00000 0.00000 0.75417 1.00000
Re2 Re 0.50000 0.00000 0.24892 1.00000
Re3 Re 0.00000 0.50000 0.24892 1.00000
Re4 Re 0.50000 1.00000 0.75108 1.00000
Re5 Re 1.00000 0.50000 0.75108 1.00000
Re6 Re 1.00000 1.00000 0.24583 1.00000
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