HfSc3Ru4
Alexandria ALEXAlex-ID: agm017015626 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1590_spg1
HfSc2Ru3 HfSc5Ru6
2024-11-29 16:15:29.851522
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017015626).
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 agm017015626
data_agm017015626
_cell_length_a 7.19258
_cell_length_b 7.19258
_cell_length_c 7.19258
_cell_angle_alpha 143.13930
_cell_angle_beta 143.13930
_cell_angle_gamma 53.11630
_cell_volume 133.06848
_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
Hf1 Hf 0.50000 0.50000 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.75154 0.75154 0.00000 1.00000
Sc3 Sc 0.24846 0.24846 0.00000 1.00000
Ru1 Ru 0.87640 0.37640 0.50000 1.00000
Ru2 Ru 0.12360 0.62360 0.50000 1.00000
Ru3 Ru 0.62360 0.12360 0.50000 1.00000
Ru4 Ru 0.37640 0.87640 0.50000 1.00000
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