VCr4Ru5
Alexandria ALEXAlex-ID: agm063277191 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_70_spg2
V3Ru5 Ru Cr
2024-10-22 04:41:55.356231
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063277191).
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 agm063277191
data_agm063277191
_cell_length_a 6.66740
_cell_length_b 6.66740
_cell_length_c 5.18189
_cell_angle_alpha 75.53505
_cell_angle_beta 75.53505
_cell_angle_gamma 37.16715
_cell_volume 134.24907
_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 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.29926 0.29926 0.75937 1.00000
Cr2 Cr 0.10315 0.10315 0.59460 1.00000
Cr3 Cr 0.89685 0.89685 0.40540 1.00000
Cr4 Cr 0.70074 0.70074 0.24063 1.00000
Ru1 Ru 0.30229 0.30229 0.26719 1.00000
Ru2 Ru 0.10229 0.10229 0.10092 1.00000
Ru3 Ru 0.89771 0.89771 0.89908 1.00000
Ru4 Ru 0.69771 0.69771 0.73281 1.00000
Ru5 Ru 0.50000 0.50000 0.50000 1.00000
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