Ho3Zr2In3
Alexandria ALEXAlex-ID: agm010089718 · Space group: P6_3/mcm (#193)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_273_spg15
Ho4ZrIn3 Zr3In HoIn
2024-05-06 02:45:22.174580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010089718).
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 agm010089718
data_agm010089718
_cell_length_a 9.05314
_cell_length_b 9.05314
_cell_length_c 5.83419
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 414.10422
_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 0.23696 0.23696 0.25000 1.00000
Ho2 Ho 0.76304 0.00000 0.25000 1.00000
Ho3 Ho 0.00000 0.76304 0.25000 1.00000
Ho4 Ho 0.76304 0.76304 0.75000 1.00000
Ho5 Ho 0.23696 0.00000 0.75000 1.00000
Ho6 Ho 0.00000 0.23696 0.75000 1.00000
Zr1 Zr 0.33333 0.66667 0.00000 1.00000
Zr2 Zr 0.66667 0.33333 0.50000 1.00000
Zr3 Zr 0.66667 0.33333 0.00000 1.00000
Zr4 Zr 0.33333 0.66667 0.50000 1.00000
In1 In 0.59436 0.59436 0.25000 1.00000
In2 In 0.40564 0.00000 0.25000 1.00000
In3 In 0.00000 0.40564 0.25000 1.00000
In4 In 0.40564 0.40564 0.75000 1.00000
In5 In 0.59436 0.00000 0.75000 1.00000
In6 In 0.00000 0.59436 0.75000 1.00000
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