HfZr6In5
Alexandria ALEXAlex-ID: agm006115400 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_74_spg10
Hf5ZrIn2 HfZr5In2 ZrIn
2023-09-13 07:20:46.751067
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115400).
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 agm006115400
data_agm006115400
_cell_length_a 5.38597
_cell_length_b 6.39242
_cell_length_c 7.78669
_cell_angle_alpha 90.00027
_cell_angle_beta 93.19462
_cell_angle_gamma 89.99951
_cell_volume 267.67438
_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 0.83864 0.75144 0.66757 1.00000
Zr2 Zr 0.83865 0.24852 0.66757 1.00000
Zr3 Zr 0.50000 0.24590 0.00000 1.00000
Zr4 Zr 0.50000 0.75410 1.00000 1.00000
Zr5 Zr 0.16135 0.75148 0.33243 1.00000
Zr6 Zr 0.16136 0.24856 0.33243 1.00000
In1 In 0.66383 0.50001 0.33601 1.00000
In2 In 0.33090 0.99999 0.67229 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.66910 0.00001 0.32771 1.00000
In5 In 0.33617 0.49999 0.66399 1.00000
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