Sc2URu3
Alexandria ALEXAlex-ID: agm037726366 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_229_spg2
U4Ru3 Sc4URu5 URu2
2024-12-29 22:57:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm037726366).
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 agm037726366
data_agm037726366
_cell_length_a 7.33257
_cell_length_b 7.33257
_cell_length_c 6.48930
_cell_angle_alpha 89.98895
_cell_angle_beta 90.01105
_cell_angle_gamma 37.06858
_cell_volume 210.31084
_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
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
Sc3 Sc 0.33581 0.33581 0.00000 1.00000
Sc4 Sc 0.66419 0.66419 0.00000 1.00000
U1 U 0.33412 0.33412 0.50000 1.00000
U2 U 0.66588 0.66588 0.50000 1.00000
Ru1 Ru 0.83217 0.83271 0.74228 1.00000
Ru2 Ru 0.50000 0.50000 0.25788 1.00000
Ru3 Ru 0.16783 0.16729 0.25772 1.00000
Ru4 Ru 0.83271 0.83217 0.25772 1.00000
Ru5 Ru 0.16729 0.16783 0.74228 1.00000
Ru6 Ru 0.50000 0.50000 0.74212 1.00000
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