Hf3(ZrIn2)2
Alexandria ALEXAlex-ID: agm005668173 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1366_spg12
Zr2In3 ZrIn Hf2In
2023-06-29 08:15:27.000549
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668173).
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 agm005668173
data_agm005668173
_cell_length_a 3.14446
_cell_length_b 7.29552
_cell_length_c 9.34995
_cell_angle_alpha 82.32392
_cell_angle_beta 96.53287
_cell_angle_gamma 77.30945
_cell_volume 205.09268
_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 0.32429 0.34254 0.44743 1.00000
Hf2 Hf 0.00000 0.00000 0.00000 1.00000
Hf3 Hf 0.67571 0.65746 0.55257 1.00000
Zr1 Zr 0.30452 0.32179 0.78171 1.00000
Zr2 Zr 0.69548 0.67821 0.21829 1.00000
In1 In 0.62385 0.66704 0.88324 1.00000
In2 In 0.00361 0.99524 0.33841 1.00000
In3 In 0.99639 0.00476 0.66159 1.00000
In4 In 0.37615 0.33296 0.11676 1.00000
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