Ho2ZnIr2
Alexandria ALEXAlex-ID: agm003400697 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_18_spg15
Ho2ZnIr2
2022-02-12 03:35:38.976888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003400697).
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 agm003400697
data_agm003400697
_cell_length_a 5.37952
_cell_length_b 5.68483
_cell_length_c 7.84582
_cell_angle_alpha 104.54195
_cell_angle_beta 90.00000
_cell_angle_gamma 118.23873
_cell_volume 202.61445
_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 0.49285 0.29017 0.14726 1.00000
Ho2 Ho 0.20268 0.70983 0.35274 1.00000
Ho3 Ho 0.50715 0.70983 0.85274 1.00000
Ho4 Ho 0.79732 0.29017 0.64726 1.00000
Zn1 Zn 0.85906 1.00000 0.25000 1.00000
Zn2 Zn 0.14094 0.00000 0.75000 1.00000
Ir1 Ir 0.71215 0.72592 0.48525 1.00000
Ir2 Ir 0.98623 0.27408 0.01475 1.00000
Ir3 Ir 0.28785 0.27408 0.51475 1.00000
Ir4 Ir 0.01377 0.72592 0.98525 1.00000
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