Sm3Y13O24
Alexandria ALEXAlex-ID: agm008406447 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B13C24_1_spg5
Sm2O3 Y2O3
2024-12-28 18:43:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008406447).
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 agm008406447
data_agm008406447
_cell_length_a 9.30915
_cell_length_b 9.30915
_cell_length_c 10.76226
_cell_angle_alpha 54.78047
_cell_angle_beta 125.21953
_cell_angle_gamma 109.38233
_cell_volume 622.46149
_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
Sm1 Sm 0.24948 0.75012 0.53211 1.00000
Sm2 Sm 0.75012 0.24948 0.46789 1.00000
Sm3 Sm 0.46854 0.46854 0.50000 1.00000
Y1 Y 0.49932 0.00319 0.24540 1.00000
Y2 Y 0.99944 0.49873 0.24828 1.00000
Y3 Y 0.00319 0.49932 0.75460 1.00000
Y4 Y 0.49873 0.99944 0.75172 1.00000
Y5 Y 0.03285 0.03285 0.00000 1.00000
Y6 Y 0.71732 0.78456 0.21562 1.00000
Y7 Y 0.78456 0.71732 0.78438 1.00000
Y8 Y 0.75140 0.24974 0.96892 1.00000
Y9 Y 0.24974 0.75140 0.03108 1.00000
Y10 Y 0.53376 0.53376 0.00000 1.00000
Y11 Y 0.96587 0.96587 0.50000 1.00000
Y12 Y 0.28099 0.21753 0.28128 1.00000
Y13 Y 0.21753 0.28099 0.71872 1.00000
O1 O 0.27005 0.03127 0.97792 1.00000
O2 O 0.22579 0.47039 0.23316 1.00000
O3 O 0.03127 0.27005 0.02208 1.00000
O4 O 0.47039 0.22579 0.76684 1.00000
O5 O 0.04363 0.74055 0.78180 1.00000
O6 O 0.74055 0.04363 0.21820 1.00000
O7 O 0.76075 0.45743 0.02183 1.00000
O8 O 0.45743 0.76075 0.97817 1.00000
O9 O 0.01369 0.22739 0.49076 1.00000
O10 O 0.27265 0.48587 0.79568 1.00000
O11 O 0.48587 0.27265 0.20432 1.00000
O12 O 0.22739 0.01369 0.50924 1.00000
O13 O 0.72595 0.96404 0.51881 1.00000
O14 O 0.77274 0.53528 0.25715 1.00000
O15 O 0.96404 0.72595 0.48119 1.00000
O16 O 0.53528 0.77274 0.74285 1.00000
O17 O 0.96083 0.26179 0.72249 1.00000
O18 O 0.26179 0.96083 0.27751 1.00000
O19 O 0.23398 0.53769 0.47680 1.00000
O20 O 0.53769 0.23398 0.52320 1.00000
O21 O 0.98947 0.77074 0.01115 1.00000
O22 O 0.73457 0.51079 0.71284 1.00000
O23 O 0.51079 0.73457 0.28716 1.00000
O24 O 0.77074 0.98947 0.98885 1.00000
