YSc3
Alexandria ALEXAlex-ID: agm003190881 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1_spg44
Sc Y
2021-12-05 18:07:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003190881).
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 agm003190881
data_agm003190881
_cell_length_a 5.86723
_cell_length_b 6.28489
_cell_length_c 3.40712
_cell_angle_alpha 74.27285
_cell_angle_beta 90.00000
_cell_angle_gamma 117.82505
_cell_volume 105.76314
_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 0.58863 0.50000 0.75000 1.00000
Sc1 Sc 0.00260 0.01074 0.99463 1.00000
Sc2 Sc 0.08357 0.50000 0.25000 1.00000
Sc3 Sc 0.49186 0.98926 0.50537 1.00000
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