Ho3Sc7Ir4
Alexandria ALEXAlex-ID: agm005703087 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
HoScIr Ho3Ir Sc11Ir4
2023-06-29 17:43:37.262531
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703087).
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 agm005703087
data_agm005703087
_cell_length_a 4.44168
_cell_length_b 8.44725
_cell_length_c 9.01289
_cell_angle_alpha 74.71974
_cell_angle_beta 75.73499
_cell_angle_gamma 74.75737
_cell_volume 308.98151
_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 0.30522 0.18718 0.20238 1.00000
Ho2 Ho 0.69478 0.81282 0.79762 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.30817 0.85552 0.52815 1.00000
Sc2 Sc 0.48887 0.23485 0.78741 1.00000
Sc3 Sc 0.83417 0.41499 0.91667 1.00000
Sc4 Sc 0.69183 0.14448 0.47185 1.00000
Sc5 Sc 0.16583 0.58501 0.08333 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.51113 0.76515 0.21259 1.00000
Ir1 Ir 0.68042 0.41927 0.21989 1.00000
Ir2 Ir 0.31958 0.58073 0.78011 1.00000
Ir3 Ir 0.89832 0.86463 0.33872 1.00000
Ir4 Ir 0.10168 0.13537 0.66128 1.00000
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