Zn4In3
Alexandria ALEXAlex-ID: agm005487571 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_17_spg139
In Zn
2023-03-18 03:57:50.426285
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487571).
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 agm005487571
data_agm005487571
_cell_length_a 13.71852
_cell_length_b 13.71852
_cell_length_c 13.71852
_cell_angle_alpha 166.27354
_cell_angle_beta 166.27354
_cell_angle_gamma 19.45915
_cell_volume 145.35275
_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 0.87303 0.87303 0.00000 1.00000
Zn2 Zn 0.12697 0.12697 0.00000 1.00000
Zn3 Zn 0.57574 0.57574 0.00000 1.00000
Zn4 Zn 0.42426 0.42426 0.00000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.70241 0.70241 0.00000 1.00000
In3 In 0.29759 0.29759 0.00000 1.00000
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