Zr2V2GaRu5
Alexandria ALEXAlex-ID: agm005134580 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_49_spg127
V2GaRu3 ZrRu
2022-07-15 06:16:08.120378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005134580).
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 agm005134580
data_agm005134580
_cell_length_a 3.18000
_cell_length_b 9.99450
_cell_length_c 9.99450
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 317.65065
_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
Zr1 Zr 0.00000 0.67319 0.17319 1.00000
Zr2 Zr 0.00000 0.32681 0.82681 1.00000
Zr3 Zr 0.00000 0.17319 0.32681 1.00000
Zr4 Zr 0.00000 0.82681 0.67319 1.00000
V1 V 0.00000 0.13076 0.63076 1.00000
V2 V 0.00000 0.86924 0.36924 1.00000
V3 V 0.00000 0.63076 0.86924 1.00000
V4 V 0.00000 0.36924 0.13076 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.50000 0.20027 0.06090 1.00000
Ru2 Ru 0.50000 0.79973 0.93910 1.00000
Ru3 Ru 0.50000 0.06090 0.79973 1.00000
Ru4 Ru 0.50000 0.70027 0.43910 1.00000
Ru5 Ru 0.50000 0.93910 0.20027 1.00000
Ru6 Ru 0.50000 0.29973 0.56090 1.00000
Ru7 Ru 0.50000 0.56090 0.70027 1.00000
Ru8 Ru 0.50000 0.43910 0.29973 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
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