Cd2Ni3
Alexandria ALEXAlex-ID: agm005508347 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Cd3Ni Ni
2023-03-20 11:46:30.476167
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508347).
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
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# CIF generated by HEAS from Alexandria entry agm005508347
data_agm005508347
_cell_length_a 7.91899
_cell_length_b 7.05418
_cell_length_c 5.10035
_cell_angle_alpha 79.53940
_cell_angle_beta 61.16202
_cell_angle_gamma 39.29858
_cell_volume 148.34060
_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
Cd1 Cd 0.37864 0.51748 0.25335 1.00000
Cd2 Cd 0.85053 0.25335 0.51748 1.00000
Cd3 Cd 0.73252 0.87136 0.39947 1.00000
Cd4 Cd 0.99665 0.39947 0.87136 1.00000
Ni1 Ni 0.32517 0.44619 0.81015 1.00000
Ni2 Ni 0.41848 0.81015 0.44619 1.00000
Ni3 Ni 0.80381 0.92483 0.83152 1.00000
Ni4 Ni 0.43985 0.83152 0.92483 1.00000
Ni5 Ni 0.02717 0.97283 0.97283 1.00000
Ni6 Ni 0.27717 0.22283 0.22283 1.00000
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