La6Y2Sc
Alexandria ALEXAlex-ID: agm005642723 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1999_spg15
La7Y LaY2 Sc
2023-07-09 19:40:51.243745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642723).
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 agm005642723
data_agm005642723
_cell_length_a 6.36060
_cell_length_b 12.13188
_cell_length_c 12.13189
_cell_angle_alpha 43.81002
_cell_angle_beta 73.47764
_cell_angle_gamma 73.47788
_cell_volume 616.88635
_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
La1 La 0.70577 0.59588 0.69698 1.00000
La2 La 0.79423 0.30302 0.40412 1.00000
La3 La 0.29423 0.40412 0.30302 1.00000
La4 La 0.20577 0.69698 0.59588 1.00000
La5 La 0.87837 0.94614 0.29987 1.00000
La6 La 0.62163 0.70013 0.05386 1.00000
La7 La 0.12163 0.05386 0.70013 1.00000
La8 La 0.37837 0.29987 0.94614 1.00000
La9 La 0.02763 0.78432 0.11800 1.00000
La10 La 0.47237 0.88200 0.21568 1.00000
La11 La 0.97237 0.21568 0.88200 1.00000
La12 La 0.52763 0.11800 0.78432 1.00000
Y1 Y 0.21456 0.63686 0.91749 1.00000
Y2 Y 0.28544 0.08251 0.36314 1.00000
Y3 Y 0.78544 0.36314 0.08251 1.00000
Y4 Y 0.71456 0.91749 0.63686 1.00000
Sc1 Sc 0.25000 0.51310 0.48690 1.00000
Sc2 Sc 0.75000 0.48690 0.51310 1.00000
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