V6Fe5Ru
Alexandria ALEXAlex-ID: agm006076007 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
V5Fe3 V3Ru VFe3
2023-09-11 05:55:13.170603
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006076007).
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 agm006076007
data_agm006076007
_cell_length_a 4.11773
_cell_length_b 5.79443
_cell_length_c 7.11716
_cell_angle_alpha 114.02064
_cell_angle_beta 106.81419
_cell_angle_gamma 90.00176
_cell_volume 147.12379
_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
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.66602 0.16601 0.33203 1.00000
Fe2 Fe 0.33299 0.33299 0.66598 1.00000
Fe3 Fe 0.00000 0.50000 0.00000 1.00000
Fe4 Fe 0.66701 0.66701 0.33402 1.00000
Fe5 Fe 0.33398 0.83399 0.66797 1.00000
V1 V 0.82986 0.57595 0.65970 1.00000
V2 V 0.82984 0.08375 0.65970 1.00000
V3 V 0.50000 0.74160 1.00000 1.00000
V4 V 0.50000 0.25840 0.00000 1.00000
V5 V 0.17016 0.91625 0.34030 1.00000
V6 V 0.17014 0.42405 0.34030 1.00000
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