HoTm2ZrIr4
Alexandria ALEXAlex-ID: agm033504040 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
HoTm2Ir3 ZrIr
2025-01-17 15:09:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033504040).
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 agm033504040
data_agm033504040
_cell_length_a 4.75052
_cell_length_b 4.75052
_cell_length_c 8.21165
_cell_angle_alpha 74.44443
_cell_angle_beta 105.55557
_cell_angle_gamma 119.26209
_cell_volume 153.66089
_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 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.74960 0.25040 0.74833 1.00000
Tm2 Tm 0.25040 0.74960 0.25167 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.37989 0.62011 0.63915 1.00000
Ir2 Ir 0.87069 0.12931 0.11271 1.00000
Ir3 Ir 0.12931 0.87069 0.88729 1.00000
Ir4 Ir 0.62011 0.37989 0.36085 1.00000
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