V8Cr2Ru
Alexandria ALEXAlex-ID: agm003523327 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_314_spg12
V5Cr4 V7Ru V5Ru
2022-03-18 12:34:50.118835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523327).
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 agm003523327
data_agm003523327
_cell_length_a 4.93216
_cell_length_b 5.76418
_cell_length_c 5.76418
_cell_angle_alpha 90.21041
_cell_angle_beta 83.36602
_cell_angle_gamma 83.36602
_cell_volume 161.66374
_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 0.72161 0.08709 0.60360 1.00000
V2 V 0.27839 0.39640 0.91291 1.00000
V3 V 0.95244 0.29715 0.29715 1.00000
V4 V 0.04756 0.70285 0.70285 1.00000
V5 V 0.72161 0.60360 0.08709 1.00000
V6 V 0.27839 0.91291 0.39640 1.00000
V7 V 0.34429 0.41719 0.41719 1.00000
V8 V 0.65571 0.58281 0.58281 1.00000
Cr1 Cr 0.52885 0.13871 0.13871 1.00000
Cr2 Cr 0.47115 0.86129 0.86129 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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