Y3Sc7Ni4
Alexandria ALEXAlex-ID: agm005697283 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_35_spg12
Sc2Ni Y3Ni Y
2023-06-29 18:37:11.578503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697283).
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 agm005697283
data_agm005697283
_cell_length_a 3.61542
_cell_length_b 9.26017
_cell_length_c 9.76183
_cell_angle_alpha 72.68696
_cell_angle_beta 79.32827
_cell_angle_gamma 78.74280
_cell_volume 303.17869
_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 0.31599 0.19451 0.17352 1.00000
Y2 Y 0.68401 0.80549 0.82648 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Sc1 Sc 0.31453 0.84156 0.52938 1.00000
Sc2 Sc 0.50491 0.22012 0.77006 1.00000
Sc3 Sc 0.83717 0.43251 0.89315 1.00000
Sc4 Sc 0.68547 0.15844 0.47062 1.00000
Sc5 Sc 0.16283 0.56749 0.10685 1.00000
Sc6 Sc 0.00000 0.00000 0.00000 1.00000
Sc7 Sc 0.49509 0.77988 0.22994 1.00000
Ni1 Ni 0.65097 0.42227 0.27578 1.00000
Ni2 Ni 0.34903 0.57773 0.72422 1.00000
Ni3 Ni 0.87157 0.93586 0.32099 1.00000
Ni4 Ni 0.12843 0.06414 0.67901 1.00000
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