HoMgIr
Alexandria ALEXAlex-ID: agm017647744 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9347_spg11
HoMgIr
2025-01-15 02:59:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017647744).
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 agm017647744
data_agm017647744
_cell_length_a 7.19923
_cell_length_b 4.07067
_cell_length_c 12.56998
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99229
_cell_angle_gamma 90.00000
_cell_volume 368.37208
_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 0.54187 0.75000 0.61906 1.00000
Ho2 Ho 0.95422 0.25000 0.28427 1.00000
Ho3 Ho 0.04578 0.75000 0.71573 1.00000
Ho4 Ho 0.65202 0.75000 0.91598 1.00000
Ho5 Ho 0.45813 0.25000 0.38094 1.00000
Ho6 Ho 0.34798 0.25000 0.08402 1.00000
Mg1 Mg 0.00119 0.25000 0.91390 1.00000
Mg2 Mg 0.86472 0.25000 0.54043 1.00000
Mg3 Mg 0.62679 0.75000 0.20267 1.00000
Mg4 Mg 0.13528 0.75000 0.45957 1.00000
Mg5 Mg 0.37321 0.25000 0.79733 1.00000
Mg6 Mg 0.99881 0.75000 0.08610 1.00000
Ir1 Ir 0.74883 0.25000 0.07811 1.00000
Ir2 Ir 0.25033 0.75000 0.25011 1.00000
Ir3 Ir 0.74967 0.75000 0.41259 1.00000
Ir4 Ir 0.25117 0.75000 0.92189 1.00000
Ir5 Ir 0.25033 0.25000 0.58741 1.00000
Ir6 Ir 0.74967 0.25000 0.74989 1.00000
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