Y3Zn2Ni3
Alexandria ALEXAlex-ID: agm005575552 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_199_spg62
Y2ZnNi2 YZnNi
2023-06-06 04:57:19.321139
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005575552).
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 agm005575552
data_agm005575552
_cell_length_a 5.62012
_cell_length_b 7.46559
_cell_length_c 14.52891
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 609.59686
_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 0.14834 0.45859 0.39612 1.00000
Y2 Y 0.64834 0.04141 0.60388 1.00000
Y3 Y 0.85166 0.54141 0.89612 1.00000
Y4 Y 0.35166 0.95859 0.10388 1.00000
Y5 Y 0.85166 0.54141 0.60388 1.00000
Y6 Y 0.35166 0.95859 0.39612 1.00000
Y7 Y 0.14834 0.45859 0.10388 1.00000
Y8 Y 0.64834 0.04141 0.89612 1.00000
Y9 Y 0.61205 0.31783 0.25000 1.00000
Y10 Y 0.11205 0.18217 0.75000 1.00000
Y11 Y 0.38795 0.68217 0.75000 1.00000
Y12 Y 0.88795 0.81783 0.25000 1.00000
Zn1 Zn 0.86145 0.11014 0.39700 1.00000
Zn2 Zn 0.36145 0.38986 0.60300 1.00000
Zn3 Zn 0.13855 0.88986 0.89700 1.00000
Zn4 Zn 0.63855 0.61014 0.10300 1.00000
Zn5 Zn 0.13855 0.88986 0.60300 1.00000
Zn6 Zn 0.63855 0.61014 0.39700 1.00000
Zn7 Zn 0.86145 0.11014 0.10300 1.00000
Zn8 Zn 0.36145 0.38986 0.89700 1.00000
Ni1 Ni 0.10103 0.17459 0.25000 1.00000
Ni2 Ni 0.60103 0.32541 0.75000 1.00000
Ni3 Ni 0.89897 0.82541 0.75000 1.00000
Ni4 Ni 0.39897 0.67459 0.25000 1.00000
Ni5 Ni 0.58085 0.31179 0.46210 1.00000
Ni6 Ni 0.08085 0.18821 0.53790 1.00000
Ni7 Ni 0.41915 0.68821 0.96210 1.00000
Ni8 Ni 0.91915 0.81179 0.03790 1.00000
Ni9 Ni 0.41915 0.68821 0.53790 1.00000
Ni10 Ni 0.91915 0.81179 0.46210 1.00000
Ni11 Ni 0.58085 0.31179 0.03790 1.00000
Ni12 Ni 0.08085 0.18821 0.96210 1.00000
