TbHf2AlIr4
Alexandria ALEXAlex-ID: agm004806098 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_337_spg166
HfAlIr2 Tb2AlIr3 HfIr
2022-07-12 10:21:26.738518
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004806098).
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 agm004806098
data_agm004806098
_cell_length_a 4.52464
_cell_length_b 4.52464
_cell_length_c 8.45510
_cell_angle_alpha 74.48034
_cell_angle_beta 74.48034
_cell_angle_gamma 60.00000
_cell_volume 142.57154
_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
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.75682 0.75682 0.72953 1.00000
Hf2 Hf 0.24318 0.24318 0.27047 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.39408 0.39408 0.81776 1.00000
Ir2 Ir 0.86951 0.86951 0.39147 1.00000
Ir3 Ir 0.13049 0.13049 0.60853 1.00000
Ir4 Ir 0.60592 0.60592 0.18224 1.00000
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