Y7ScO12
Alexandria ALEXAlex-ID: agm013199264 · Space group: I2_12_12_1 (#24)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_12_spg24
Y2O3 Y3ScO6
2025-02-28 19:21:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013199264).
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 agm013199264
data_agm013199264
_cell_length_a 9.18480
_cell_length_b 9.18480
_cell_length_c 9.18480
_cell_angle_alpha 109.56634
_cell_angle_beta 109.49992
_cell_angle_gamma 109.34748
_cell_volume 596.46533
_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 0.75000 0.78266 0.03266 1.00000
Y2 Y 0.50269 0.00727 0.00476 1.00000
Y3 Y 0.03275 0.25000 0.28275 1.00000
Y4 Y 0.46725 0.75000 0.21725 1.00000
Y5 Y 0.72035 0.97035 0.75000 1.00000
Y6 Y 0.21472 0.46472 0.75000 1.00000
Y7 Y 0.99749 0.49273 0.99542 1.00000
Y8 Y 0.50251 0.49793 0.49524 1.00000
Y9 Y 0.99731 0.00207 0.50458 1.00000
Y10 Y 0.25000 0.71734 0.46734 1.00000
Y11 Y 0.77965 0.52965 0.25000 1.00000
Y12 Y 0.28528 0.03528 0.25000 1.00000
Y13 Y 0.97122 0.75000 0.72122 1.00000
Y14 Y 0.52878 0.25000 0.77878 1.00000
Sc1 Sc 0.75000 0.28237 0.53237 1.00000
Sc2 Sc 0.25000 0.21763 0.96763 1.00000
O1 O 0.27331 0.50827 0.54168 1.00000
O2 O 0.46659 0.73164 0.95832 1.00000
O3 O 0.23246 0.96190 0.96930 1.00000
O4 O 0.72871 0.75978 0.27300 1.00000
O5 O 0.00740 0.53810 0.77056 1.00000
O6 O 0.51321 0.74022 0.46893 1.00000
O7 O 0.22669 0.76836 0.23496 1.00000
O8 O 0.03341 0.99173 0.26504 1.00000
O9 O 0.94646 0.22976 0.48938 1.00000
O10 O 0.45887 0.97092 0.73059 1.00000
O11 O 0.74033 0.72828 0.76941 1.00000
O12 O 0.24038 0.45708 0.01062 1.00000
O13 O 0.75967 0.52908 0.98795 1.00000
O14 O 0.04113 0.77172 0.51205 1.00000
O15 O 0.25962 0.27024 0.21671 1.00000
O16 O 0.55354 0.04292 0.28329 1.00000
O17 O 0.98246 0.02363 0.75624 1.00000
O18 O 0.76740 0.22622 0.74376 1.00000
O19 O 0.98679 0.45572 0.22700 1.00000
O20 O 0.49260 0.26315 0.53070 1.00000
O21 O 0.77129 0.04428 0.03107 1.00000
O22 O 0.26754 0.23685 0.72944 1.00000
O23 O 0.73260 0.47637 0.45882 1.00000
O24 O 0.51754 0.27378 0.04118 1.00000
