HfZr7In3
Alexandria ALEXAlex-ID: agm003583010 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_119_spg71
HfZr5In2 Zr3In ZrIn
2022-04-03 02:43:39.437290
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003583010).
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 agm003583010
data_agm003583010
_cell_length_a 5.14320
_cell_length_b 7.61234
_cell_length_c 7.61234
_cell_angle_alpha 85.96288
_cell_angle_beta 109.86931
_cell_angle_gamma 109.86931
_cell_volume 263.26544
_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 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.19397 0.19402 0.19402 1.00000
Zr2 Zr 0.29576 0.00213 0.58929 1.00000
Zr3 Zr 0.70424 0.41071 0.99787 1.00000
Zr4 Zr 0.29576 0.58929 0.00213 1.00000
Zr5 Zr 0.00000 0.50000 0.50000 1.00000
Zr6 Zr 0.70424 0.99787 0.41071 1.00000
Zr7 Zr 0.80603 0.80598 0.80598 1.00000
In1 In 0.00000 0.77943 0.22057 1.00000
In2 In 0.50000 0.00000 0.00000 1.00000
In3 In 0.00000 0.22057 0.77943 1.00000
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