Sc3Cu2Ni3
Alexandria ALEXAlex-ID: agm009202425 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_118_spg71
Sc2CuNi3 Sc2Cu7 ScNi
2024-05-09 05:10:41.641427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009202425).
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 agm009202425
data_agm009202425
_cell_length_a 9.04497
_cell_length_b 9.04497
_cell_length_c 9.04497
_cell_angle_alpha 159.15284
_cell_angle_beta 153.05503
_cell_angle_gamma 34.31251
_cell_volume 119.21367
_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
Sc1 Sc 0.86836 0.36836 0.50000 1.00000
Sc2 Sc 0.50000 0.50000 0.00000 1.00000
Sc3 Sc 0.13164 0.63164 0.50000 1.00000
Cu1 Cu 0.74029 0.74029 0.00000 1.00000
Cu2 Cu 0.25971 0.25971 0.00000 1.00000
Ni1 Ni 0.37487 0.87487 0.50000 1.00000
Ni2 Ni 0.62513 0.12513 0.50000 1.00000
Ni3 Ni 0.00000 0.00000 0.00000 1.00000
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