Y3(In2Ni)2
Alexandria ALEXAlex-ID: agm005670034 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1188_spg2
Y3(In2Ni)2
2023-06-27 18:23:26.613263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670034).
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 agm005670034
data_agm005670034
_cell_length_a 4.58561
_cell_length_b 5.99934
_cell_length_c 8.54737
_cell_angle_alpha 73.32222
_cell_angle_beta 74.44002
_cell_angle_gamma 67.53145
_cell_volume 204.78664
_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 0.31641 0.73655 0.63063 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Y3 Y 0.68359 0.26345 0.36937 1.00000
In1 In 0.27499 0.36939 0.08063 1.00000
In2 In 0.72501 0.63061 0.91937 1.00000
In3 In 0.02399 0.30621 0.64582 1.00000
In4 In 0.97601 0.69379 0.35418 1.00000
Ni1 Ni 0.40477 0.92360 0.26687 1.00000
Ni2 Ni 0.59523 0.07640 0.73313 1.00000
Get direct link