Ho3Sn3Ru2
Alexandria ALEXAlex-ID: agm005575498 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_199_spg62
HoSn HoSnRu
2023-06-06 06:44:26.856297
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005575498).
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 agm005575498
data_agm005575498
_cell_length_a 5.84373
_cell_length_b 8.32859
_cell_length_c 15.20793
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 740.16994
_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 0.10007 0.46568 0.38791 1.00000
Ho2 Ho 0.60007 0.03432 0.61209 1.00000
Ho3 Ho 0.89993 0.53432 0.88791 1.00000
Ho4 Ho 0.39993 0.96568 0.11209 1.00000
Ho5 Ho 0.89993 0.53432 0.61209 1.00000
Ho6 Ho 0.39993 0.96568 0.38791 1.00000
Ho7 Ho 0.10007 0.46568 0.11209 1.00000
Ho8 Ho 0.60007 0.03432 0.88791 1.00000
Ho9 Ho 0.63303 0.32513 0.25000 1.00000
Ho10 Ho 0.13303 0.17487 0.75000 1.00000
Ho11 Ho 0.36697 0.67487 0.75000 1.00000
Ho12 Ho 0.86697 0.82513 0.25000 1.00000
Sn1 Sn 0.13243 0.17325 0.25000 1.00000
Sn2 Sn 0.63243 0.32675 0.75000 1.00000
Sn3 Sn 0.86757 0.82675 0.75000 1.00000
Sn4 Sn 0.36757 0.67325 0.25000 1.00000
Sn5 Sn 0.59890 0.31882 0.46563 1.00000
Sn6 Sn 0.09890 0.18118 0.53437 1.00000
Sn7 Sn 0.40110 0.68118 0.96563 1.00000
Sn8 Sn 0.90110 0.81882 0.03437 1.00000
Sn9 Sn 0.40110 0.68118 0.53437 1.00000
Sn10 Sn 0.90110 0.81882 0.46563 1.00000
Sn11 Sn 0.59890 0.31882 0.03437 1.00000
Sn12 Sn 0.09890 0.18118 0.96563 1.00000
Ru1 Ru 0.85630 0.09979 0.38760 1.00000
Ru2 Ru 0.35630 0.40021 0.61240 1.00000
Ru3 Ru 0.14370 0.90021 0.88760 1.00000
Ru4 Ru 0.64370 0.59979 0.11240 1.00000
Ru5 Ru 0.14370 0.90021 0.61240 1.00000
Ru6 Ru 0.64370 0.59979 0.38760 1.00000
Ru7 Ru 0.85630 0.09979 0.11240 1.00000
Ru8 Ru 0.35630 0.40021 0.88760 1.00000
