Y3Cu2Ni
Alexandria ALEXAlex-ID: agm005709162 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
Y2CuNi YCu
2023-08-23 12:49:51.361551
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709162).
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 agm005709162
data_agm005709162
_cell_length_a 4.26047
_cell_length_b 10.73597
_cell_length_c 11.40280
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 521.56781
_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 0.25000 0.37354 0.05149 1.00000
Y2 Y 0.75000 0.62646 0.94851 1.00000
Y3 Y 0.75000 0.87354 0.44851 1.00000
Y4 Y 0.25000 0.12646 0.55149 1.00000
Y5 Y 0.25000 0.69947 0.22345 1.00000
Y6 Y 0.75000 0.30053 0.77655 1.00000
Y7 Y 0.75000 0.19947 0.27655 1.00000
Y8 Y 0.25000 0.80053 0.72345 1.00000
Y9 Y 0.25000 0.43781 0.38798 1.00000
Y10 Y 0.75000 0.56219 0.61202 1.00000
Y11 Y 0.75000 0.93781 0.11202 1.00000
Y12 Y 0.25000 0.06219 0.88798 1.00000
Cu1 Cu 0.25000 0.69164 0.48110 1.00000
Cu2 Cu 0.75000 0.30836 0.51890 1.00000
Cu3 Cu 0.75000 0.19164 0.01890 1.00000
Cu4 Cu 0.25000 0.80836 0.98110 1.00000
Cu5 Cu 0.25000 0.99168 0.30072 1.00000
Cu6 Cu 0.75000 0.00832 0.69928 1.00000
Cu7 Cu 0.75000 0.49168 0.19928 1.00000
Cu8 Cu 0.25000 0.50832 0.80072 1.00000
Ni1 Ni 0.25000 0.12570 0.12620 1.00000
Ni2 Ni 0.75000 0.87430 0.87380 1.00000
Ni3 Ni 0.75000 0.62570 0.37380 1.00000
Ni4 Ni 0.25000 0.37430 0.62620 1.00000
