Ho4IrRu
Alexandria ALEXAlex-ID: agm005802645 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1313_spg15
Ho2Ru Ho5Ru2 Ho5Ir3
2023-07-31 04:55:19.807139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802645).
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 agm005802645
data_agm005802645
_cell_length_a 6.29168
_cell_length_b 7.44801
_cell_length_c 7.81853
_cell_angle_alpha 114.17724
_cell_angle_beta 108.86541
_cell_angle_gamma 99.54850
_cell_volume 296.80296
_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 0.00722 0.24189 0.87467 1.00000
Ho2 Ho 0.79001 0.69328 0.64686 1.00000
Ho3 Ho 0.36745 0.63278 0.87467 1.00000
Ho4 Ho 0.35684 0.95357 0.64686 1.00000
Ho5 Ho 0.64316 0.04643 0.35314 1.00000
Ho6 Ho 0.63255 0.36722 0.12533 1.00000
Ho7 Ho 0.20999 0.30672 0.35314 1.00000
Ho8 Ho 0.99278 0.75811 0.12533 1.00000
Ir1 Ir 0.38502 0.63502 0.27004 1.00000
Ir2 Ir 0.61498 0.36498 0.72996 1.00000
Ru1 Ru 0.25009 0.00009 0.00019 1.00000
Ru2 Ru 0.74991 0.99991 0.99981 1.00000
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