Ho12Ir2Au5
Alexandria ALEXAlex-ID: agm003370802 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_37_spg12
Ho5IrAu2 Ho2Au
2022-02-06 21:58:23.254418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370802).
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 agm003370802
data_agm003370802
_cell_length_a 7.49805
_cell_length_b 8.92069
_cell_length_c 9.13850
_cell_angle_alpha 103.61052
_cell_angle_beta 90.00000
_cell_angle_gamma 114.85111
_cell_volume 535.67745
_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 0.97866 0.95732 0.17859 1.00000
Ho2 Ho 0.09206 0.65572 0.89734 1.00000
Ho3 Ho 0.56366 0.65572 0.89734 1.00000
Ho4 Ho 0.10466 0.71161 0.43719 1.00000
Ho5 Ho 0.60695 0.71161 0.43719 1.00000
Ho6 Ho 0.49878 0.99755 0.75220 1.00000
Ho7 Ho 0.50122 0.00245 0.24780 1.00000
Ho8 Ho 0.89534 0.28839 0.56281 1.00000
Ho9 Ho 0.39305 0.28839 0.56281 1.00000
Ho10 Ho 0.90794 0.34428 0.10266 1.00000
Ho11 Ho 0.43634 0.34428 0.10266 1.00000
Ho12 Ho 0.02134 0.04268 0.82141 1.00000
Ir1 Ir 0.71424 0.00000 1.00000 1.00000
Ir2 Ir 0.28576 1.00000 0.00000 1.00000
Au1 Au 0.29228 0.58456 0.63289 1.00000
Au2 Au 0.31165 0.62330 0.16240 1.00000
Au3 Au 0.00000 0.00000 0.50000 1.00000
Au4 Au 0.68835 0.37670 0.83760 1.00000
Au5 Au 0.70772 0.41544 0.36711 1.00000
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