V7Fe3Ru
Alexandria ALEXAlex-ID: agm005992858 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_400_spg15
V5Fe3 V3Ru VFe3
2023-08-13 00:49:20.176911
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992858).
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 agm005992858
data_agm005992858
_cell_length_a 2.73552
_cell_length_b 8.93893
_cell_length_c 11.84596
_cell_angle_alpha 91.10698
_cell_angle_beta 82.74651
_cell_angle_gamma 98.80150
_cell_volume 283.96357
_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 0.31165 0.62330 0.75000 1.00000
V2 V 0.68835 0.37670 0.25000 1.00000
V3 V 0.46562 0.11628 0.44439 1.00000
V4 V 0.53438 0.88372 0.55561 1.00000
V5 V 0.34934 0.88372 0.94439 1.00000
V6 V 0.65066 0.11628 0.05561 1.00000
V7 V 0.14891 0.86324 0.35852 1.00000
V8 V 0.85109 0.13676 0.64148 1.00000
V9 V 0.36439 0.59105 0.41767 1.00000
V10 V 0.63561 0.40895 0.58233 1.00000
V11 V 0.77333 0.40895 0.91767 1.00000
V12 V 0.22667 0.59105 0.08233 1.00000
V13 V 0.71433 0.86324 0.14148 1.00000
V14 V 0.28567 0.13676 0.85852 1.00000
Fe1 Fe 0.10573 0.33283 0.41873 1.00000
Fe2 Fe 0.89427 0.66717 0.58127 1.00000
Fe3 Fe 0.16894 0.33788 0.75000 1.00000
Fe4 Fe 0.83106 0.66212 0.25000 1.00000
Fe5 Fe 0.22710 0.33283 0.08127 1.00000
Fe6 Fe 0.77290 0.66717 0.91873 1.00000
Ru1 Ru 0.05072 0.10145 0.25000 1.00000
Ru2 Ru 0.94928 0.89855 0.75000 1.00000
