V2Fe3Ni4
Alexandria ALEXAlex-ID: agm005654611 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_298_spg12
V3Fe13 VFe7 VNi3
2023-06-29 05:26:27.310696
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654611).
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 agm005654611
data_agm005654611
_cell_length_a 3.54942
_cell_length_b 4.46012
_cell_length_c 7.48045
_cell_angle_alpha 74.26588
_cell_angle_beta 76.27591
_cell_angle_gamma 66.55262
_cell_volume 103.44448
_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 0.33273 0.11096 0.22357 1.00000
V2 V 0.66727 0.88904 0.77643 1.00000
Fe1 Fe 0.33541 0.77241 0.55677 1.00000
Fe2 Fe 0.00000 0.00000 0.00000 1.00000
Fe3 Fe 0.66459 0.22759 0.44323 1.00000
Ni1 Ni 0.66784 0.55503 0.10929 1.00000
Ni2 Ni 0.99757 0.33625 0.66862 1.00000
Ni3 Ni 0.00243 0.66375 0.33138 1.00000
Ni4 Ni 0.33216 0.44497 0.89071 1.00000
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