Y3Zn8In3
Alexandria ALEXAlex-ID: agm005680144 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
Y3Zn22 YZnIn YIn3
2023-06-29 11:43:16.061104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680144).
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 agm005680144
data_agm005680144
_cell_length_a 4.35346
_cell_length_b 8.45124
_cell_length_c 8.45124
_cell_angle_alpha 71.60484
_cell_angle_beta 75.07445
_cell_angle_gamma 75.07445
_cell_volume 279.77741
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.80323 0.19677 0.19677 1.00000
Y3 Y 0.19677 0.80323 0.80323 1.00000
Zn1 Zn 0.65482 0.08148 0.60888 1.00000
Zn2 Zn 0.34518 0.91852 0.39112 1.00000
Zn3 Zn 0.65482 0.60888 0.08148 1.00000
Zn4 Zn 0.34518 0.39112 0.91852 1.00000
Zn5 Zn 0.83399 0.79029 0.54172 1.00000
Zn6 Zn 0.16601 0.20971 0.45828 1.00000
Zn7 Zn 0.83399 0.54172 0.79029 1.00000
Zn8 Zn 0.16601 0.45828 0.20971 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 1.00000 0.78152 0.21848 1.00000
In3 In 0.00000 0.21848 0.78152 1.00000
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