Zn3In5
Alexandria ALEXAlex-ID: agm009275751 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_39_spg71
In Zn
2024-06-28 09:53:58.636546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009275751).
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 agm009275751
data_agm009275751
_cell_length_a 9.91944
_cell_length_b 9.91944
_cell_length_c 9.91944
_cell_angle_alpha 156.86306
_cell_angle_beta 150.83548
_cell_angle_gamma 37.55277
_cell_volume 186.62643
_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
Zn1 Zn 0.60079 0.10078 0.50000 1.00000
Zn2 Zn 0.50000 0.50000 0.00000 1.00000
Zn3 Zn 0.39921 0.89921 0.50000 1.00000
In1 In 0.27315 0.27315 0.00000 1.00000
In2 In 0.72685 0.72685 0.00000 1.00000
In3 In 0.12648 0.62648 0.50000 1.00000
In4 In 0.87352 0.37352 0.50000 1.00000
In5 In 0.00000 0.00000 0.00000 1.00000
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