Ho6NiIr5
Alexandria ALEXAlex-ID: agm006099485 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Ho2NiIr3 Ho4Ir3 HoNiIr
2023-09-18 01:14:45.716400
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006099485).
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 agm006099485
data_agm006099485
_cell_length_a 4.74377
_cell_length_b 7.02333
_cell_length_c 7.51397
_cell_angle_alpha 89.99992
_cell_angle_beta 71.42177
_cell_angle_gamma 89.99971
_cell_volume 237.29784
_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
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.66769 0.50000 0.66528 1.00000
Ir2 Ir 0.33504 0.00000 0.32881 1.00000
Ir3 Ir 0.00000 0.50000 0.00000 1.00000
Ir4 Ir 0.66496 1.00000 0.67119 1.00000
Ir5 Ir 0.33231 0.50000 0.33472 1.00000
Ho1 Ho 0.83262 0.75074 0.33441 1.00000
Ho2 Ho 0.83262 0.24926 0.33441 1.00000
Ho3 Ho 0.50000 0.24987 0.00000 1.00000
Ho4 Ho 0.50000 0.75013 1.00000 1.00000
Ho5 Ho 0.16738 0.75074 0.66559 1.00000
Ho6 Ho 0.16738 0.24926 0.66559 1.00000
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