Ho3Sc7Ru4
Alexandria ALEXAlex-ID: agm005697138 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_35_spg12
Ho3Ru Sc2Ru Sc11Ru4
2023-06-29 17:39:35.133855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697138).
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 agm005697138
data_agm005697138
_cell_length_a 4.03165
_cell_length_b 8.68012
_cell_length_c 9.71159
_cell_angle_alpha 70.37363
_cell_angle_beta 78.02006
_cell_angle_gamma 76.57132
_cell_volume 308.23278
_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
Ho1 Ho 0.30814 0.17911 0.20461 1.00000
Ho2 Ho 0.69186 0.82089 0.79539 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.32078 0.84184 0.51661 1.00000
Sc2 Sc 0.49074 0.24699 0.77153 1.00000
Sc3 Sc 0.83212 0.41296 0.92280 1.00000
Sc4 Sc 0.67922 0.15816 0.48339 1.00000
Sc5 Sc 0.16788 0.58704 0.07720 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.50926 0.75301 0.22847 1.00000
Ru1 Ru 0.67350 0.42155 0.23145 1.00000
Ru2 Ru 0.32650 0.57845 0.76855 1.00000
Ru3 Ru 0.88785 0.90794 0.31636 1.00000
Ru4 Ru 0.11215 0.09206 0.68364 1.00000
Get direct link