Hf2ScIr2
Alexandria ALEXAlex-ID: agm014200735 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_557_spg2
Hf2Sc2Ir3 Hf5Ir3 HfScIr
2025-04-15 02:51:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014200735).
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 agm014200735
data_agm014200735
_cell_length_a 8.71073
_cell_length_b 8.71073
_cell_length_c 8.71073
_cell_angle_alpha 158.29850
_cell_angle_beta 158.29850
_cell_angle_gamma 30.87981
_cell_volume 90.31010
_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
Hf1 Hf 0.80918 0.80918 0.00000 1.00000
Hf2 Hf 0.19082 0.19082 0.00000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.59602 0.59602 0.00000 1.00000
Ir2 Ir 0.40398 0.40398 0.00000 1.00000
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