HfGeIr2
Alexandria ALEXAlex-ID: agm002833552 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7_spg122
Hf4Ge6Ir7 HfGeIr HfIr3
2017-02-23 18:37:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002833552).
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
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# CIF generated by HEAS from Alexandria entry agm002833552
data_agm002833552
_cell_length_a 5.78802
_cell_length_b 5.78802
_cell_length_c 6.96028
_cell_angle_alpha 65.43099
_cell_angle_beta 65.43099
_cell_angle_gamma 90.00000
_cell_volume 188.60548
_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
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Ge2 Ge 0.25000 0.75000 0.50000 1.00000
Ir1 Ir 0.59620 0.12500 0.25000 1.00000
Ir2 Ir 0.15380 0.62500 0.25000 1.00000
Ir3 Ir 0.37500 0.40380 0.75000 1.00000
Ir4 Ir 0.87500 0.84620 0.75000 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Hf2 Hf 0.75000 0.25000 0.50000 1.00000
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