Y4CdNi2
Alexandria ALEXAlex-ID: agm003458331 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1460_spg1
Y4CdNi YCd YNi
2022-02-18 08:06:43.319312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458331).
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 agm003458331
data_agm003458331
_cell_length_a 6.75476
_cell_length_b 6.80662
_cell_length_c 8.65032
_cell_angle_alpha 108.00311
_cell_angle_beta 107.76197
_cell_angle_gamma 102.50188
_cell_volume 338.34698
_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 0.82322 0.26552 0.23844 1.00000
Y2 Y 0.24654 0.51208 0.10057 1.00000
Y3 Y 0.96198 0.55186 0.68856 1.00000
Y4 Y 0.80065 0.02299 0.67319 1.00000
Y5 Y 0.39609 0.16083 0.39949 1.00000
Y6 Y 0.37750 0.10016 0.82695 1.00000
Y7 Y 0.52347 0.61339 0.81132 1.00000
Y8 Y 0.83449 0.77696 0.26156 1.00000
Cd1 Cd 0.27704 0.69030 0.48344 1.00000
Cd2 Cd 0.04393 0.95684 0.01666 1.00000
Ni1 Ni 0.79351 0.41210 0.93642 1.00000
Ni2 Ni 0.44836 0.89699 0.08158 1.00000
Ni3 Ni 0.61616 0.56456 0.41835 1.00000
Ni4 Ni 0.10706 0.22541 0.56347 1.00000
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