Sc3Al2Ni7
Alexandria ALEXAlex-ID: agm005617841 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
Sc3(AlNi3)2 Sc6Al7Ni16 ScNi2
2023-06-13 03:09:35.209690
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005617841).
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 agm005617841
data_agm005617841
_cell_length_a 4.99913
_cell_length_b 4.99913
_cell_length_c 8.25264
_cell_angle_alpha 72.36931
_cell_angle_beta 72.36932
_cell_angle_gamma 60.00000
_cell_volume 167.33299
_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 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.86003 0.86003 0.41992 1.00000
Sc3 Sc 0.13997 0.13997 0.58008 1.00000
Al1 Al 0.66629 0.66629 0.00114 1.00000
Al2 Al 0.33371 0.33371 0.99886 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.91842 0.41489 0.25180 1.00000
Ni3 Ni 0.41489 0.91842 0.25180 1.00000
Ni4 Ni 0.41489 0.41489 0.25180 1.00000
Ni5 Ni 0.08158 0.58511 0.74820 1.00000
Ni6 Ni 0.58511 0.58511 0.74820 1.00000
Ni7 Ni 0.58511 0.08158 0.74820 1.00000
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