HoPaIr2
Alexandria ALEXAlex-ID: agm005689749 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7718_spg13
Ho4Ir3 HoPa3Ir4 HoIr2
2023-07-12 03:48:00.663286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689749).
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 agm005689749
data_agm005689749
_cell_length_a 5.56209
_cell_length_b 5.58191
_cell_length_c 11.25888
_cell_angle_alpha 90.00000
_cell_angle_beta 101.57982
_cell_angle_gamma 90.00000
_cell_volume 342.44037
_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 0.94974 0.63609 0.64539 1.00000
Ho2 Ho 0.05026 0.36391 0.35461 1.00000
Ho3 Ho 0.55026 0.63609 0.85461 1.00000
Ho4 Ho 0.44974 0.36391 0.14539 1.00000
Pa1 Pa 0.54718 0.85733 0.36244 1.00000
Pa2 Pa 0.45282 0.14267 0.63756 1.00000
Pa3 Pa 0.95282 0.85733 0.13756 1.00000
Pa4 Pa 0.04718 0.14267 0.86244 1.00000
Ir1 Ir 0.92443 0.34609 0.08728 1.00000
Ir2 Ir 0.07557 0.65391 0.91272 1.00000
Ir3 Ir 0.57557 0.34609 0.41272 1.00000
Ir4 Ir 0.42443 0.65391 0.58728 1.00000
Ir5 Ir 0.55922 0.13413 0.89589 1.00000
Ir6 Ir 0.44078 0.86587 0.10411 1.00000
Ir7 Ir 0.94078 0.13413 0.60411 1.00000
Ir8 Ir 0.05922 0.86587 0.39589 1.00000
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