Ho3Ga3Cu2Ir
Alexandria ALEXAlex-ID: agm034773609 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
HoGaCu HoGaIr
2024-12-08 09:48:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034773609).
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 agm034773609
data_agm034773609
_cell_length_a 6.94745
_cell_length_b 4.36243
_cell_length_c 22.49757
_cell_angle_alpha 90.00000
_cell_angle_beta 90.36219
_cell_angle_gamma 90.00000
_cell_volume 681.83800
_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 0.52616 0.00000 0.93547 1.00000
Ho2 Ho 0.50934 0.00000 0.60030 1.00000
Ho3 Ho 0.51117 0.00000 0.26631 1.00000
Ho4 Ho 0.02567 0.00000 0.89843 1.00000
Ho5 Ho 0.00561 0.00000 0.56772 1.00000
Ho6 Ho 0.00852 0.00000 0.23604 1.00000
Ho7 Ho 0.49163 0.50000 0.73580 1.00000
Ho8 Ho 0.49894 0.50000 0.40159 1.00000
Ho9 Ho 0.50327 0.50000 0.06842 1.00000
Ho10 Ho 0.99216 0.50000 0.76407 1.00000
Ho11 Ho 0.98735 0.50000 0.42936 1.00000
Ho12 Ho 0.99163 0.50000 0.09773 1.00000
Ga1 Ga 0.68518 0.00000 0.80862 1.00000
Ga2 Ga 0.68935 0.00000 0.47440 1.00000
Ga3 Ga 0.69329 0.00000 0.14111 1.00000
Ga4 Ga 0.17923 0.00000 0.69141 1.00000
Ga5 Ga 0.18938 0.00000 0.36008 1.00000
Ga6 Ga 0.19442 0.00000 0.02700 1.00000
Ga7 Ga 0.31984 0.50000 0.86241 1.00000
Ga8 Ga 0.30698 0.50000 0.52642 1.00000
Ga9 Ga 0.30785 0.50000 0.19421 1.00000
Ga10 Ga 0.82433 0.50000 0.97097 1.00000
Ga11 Ga 0.80892 0.50000 0.63798 1.00000
Ga12 Ga 0.80949 0.50000 0.30356 1.00000
Cu1 Cu 0.28818 0.00000 0.47031 1.00000
Cu2 Cu 0.29142 0.00000 0.13794 1.00000
Cu3 Cu 0.21418 0.50000 0.97092 1.00000
Cu4 Cu 0.20479 0.50000 0.63505 1.00000
Cu5 Cu 0.21057 0.50000 0.30377 1.00000
Cu6 Cu 0.71034 0.50000 0.86409 1.00000
Cu7 Cu 0.69715 0.50000 0.52944 1.00000
Cu8 Cu 0.69573 0.50000 0.19587 1.00000
Ir1 Ir 0.77360 0.00000 0.69669 1.00000
Ir2 Ir 0.77943 0.00000 0.36296 1.00000
Ir3 Ir 0.79209 0.00000 0.03105 1.00000
Ir4 Ir 0.28285 0.00000 0.80246 1.00000
