UGa3Ru4
Alexandria ALEXAlex-ID: agm017197397 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1304_spg166
UGa3Ru4
2024-10-03 22:09:15.499324
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017197397).
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 agm017197397
data_agm017197397
_cell_length_a 7.50786
_cell_length_b 7.50786
_cell_length_c 7.50786
_cell_angle_alpha 34.74437
_cell_angle_beta 34.74437
_cell_angle_gamma 34.74437
_cell_volume 122.68028
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.24829 0.24829 0.24829 1.00000
Ga2 Ga 0.75171 0.75171 0.75171 1.00000
Ga3 Ga 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.87641 0.87641 0.87641 1.00000
Ru2 Ru 0.38080 0.38080 0.38080 1.00000
Ru3 Ru 0.12359 0.12359 0.12359 1.00000
Ru4 Ru 0.61920 0.61920 0.61920 1.00000
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