LaY3Sc4O12
Alexandria ALEXAlex-ID: agm003224554 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_7_spg6
Sc2O3 LaScO3 Y3ScO6
2021-12-08 00:14:29.890182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003224554).
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 agm003224554
data_agm003224554
_cell_length_a 8.03207
_cell_length_b 5.52654
_cell_length_c 5.78313
_cell_angle_alpha 89.97172
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 256.71059
_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 0.50000 0.51222 0.44872 1.00000
Y1 Y 0.50000 0.97876 0.94012 1.00000
Y2 Y 0.00000 0.47925 0.56479 1.00000
Y3 Y 1.00000 0.01797 0.05881 1.00000
Sc1 Sc 0.24637 0.50172 0.00224 1.00000
Sc2 Sc 0.75457 0.99771 0.50052 1.00000
Sc3 Sc 0.75363 0.50172 0.00224 1.00000
Sc4 Sc 0.24543 0.99771 0.50052 1.00000
O1 O 0.50000 0.37226 0.03817 1.00000
O2 O 0.50000 0.10136 0.55459 1.00000
O3 O 0.00000 0.63025 0.94553 1.00000
O4 O 1.00000 0.86823 0.44073 1.00000
O5 O 0.17896 0.19904 0.80155 1.00000
O6 O 0.81794 0.30811 0.30710 1.00000
O7 O 0.68791 0.81394 0.18970 1.00000
O8 O 0.30788 0.69934 0.70316 1.00000
O9 O 0.31209 0.81394 0.18970 1.00000
O10 O 0.69212 0.69934 0.70316 1.00000
O11 O 0.82104 0.19904 0.80155 1.00000
O12 O 0.18206 0.30811 0.30710 1.00000
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