Hf(Zr3In)2
Alexandria ALEXAlex-ID: agm005691085 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_733_spg12
Zr3In Hf
2023-07-10 19:51:38.973889
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691085).
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 agm005691085
data_agm005691085
_cell_length_a 3.24325
_cell_length_b 8.16790
_cell_length_c 8.90188
_cell_angle_alpha 62.69197
_cell_angle_beta 85.16017
_cell_angle_gamma 79.40272
_cell_volume 205.96085
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.15983 0.82911 0.67389 1.00000
Zr2 Zr 0.84017 0.17089 0.32611 1.00000
Zr3 Zr 0.34168 0.33322 1.00000 1.00000
Zr4 Zr 0.15983 0.50300 0.32611 1.00000
Zr5 Zr 0.84017 0.49700 0.67389 1.00000
Zr6 Zr 0.65832 0.66678 0.00000 1.00000
In1 In 0.50000 0.83156 0.33688 1.00000
In2 In 0.50000 0.16844 0.66312 1.00000
Get direct link