NdY15O24
Alexandria ALEXAlex-ID: agm017544698 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB15C24_6_spg5
Nd2O3 Y2O3
2024-12-11 12:01:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017544698).
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 agm017544698
data_agm017544698
_cell_length_a 9.28366
_cell_length_b 9.28366
_cell_length_c 10.72750
_cell_angle_alpha 54.84935
_cell_angle_beta 125.15065
_cell_angle_gamma 109.33749
_cell_volume 618.10567
_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
Nd1 Nd 0.96909 0.96909 0.50000 1.00000
Y1 Y 0.03236 0.03236 0.00000 1.00000
Y2 Y 0.99985 0.49772 0.75134 1.00000
Y3 Y 0.28405 0.21887 0.78385 1.00000
Y4 Y 0.21887 0.28405 0.21615 1.00000
Y5 Y 0.74951 0.25222 0.03011 1.00000
Y6 Y 0.74901 0.25022 0.53289 1.00000
Y7 Y 0.49772 0.99985 0.24866 1.00000
Y8 Y 0.00027 0.50324 0.24717 1.00000
Y9 Y 0.50324 0.00027 0.75283 1.00000
Y10 Y 0.46708 0.46708 0.50000 1.00000
Y11 Y 0.53298 0.53298 0.00000 1.00000
Y12 Y 0.25022 0.74901 0.46711 1.00000
Y13 Y 0.25222 0.74951 0.96989 1.00000
Y14 Y 0.78245 0.71515 0.28290 1.00000
Y15 Y 0.71515 0.78245 0.71710 1.00000
O1 O 0.54379 0.24168 0.78087 1.00000
O2 O 0.95786 0.26028 0.97793 1.00000
O3 O 0.96985 0.72366 0.76824 1.00000
O4 O 0.27055 0.03094 0.26097 1.00000
O5 O 0.46792 0.22748 0.48011 1.00000
O6 O 0.76947 0.53271 0.97816 1.00000
O7 O 0.24168 0.54379 0.21913 1.00000
O8 O 0.26028 0.95786 0.02207 1.00000
O9 O 0.77129 0.98876 0.79307 1.00000
O10 O 0.01141 0.23751 0.28473 1.00000
O11 O 0.48887 0.27098 0.01114 1.00000
O12 O 0.72893 0.51058 0.51112 1.00000
O13 O 0.98876 0.77129 0.20693 1.00000
O14 O 0.51058 0.72893 0.48888 1.00000
O15 O 0.23751 0.01141 0.71527 1.00000
O16 O 0.27098 0.48887 0.98886 1.00000
O17 O 0.76183 0.45611 0.28239 1.00000
O18 O 0.73128 0.04202 0.47687 1.00000
O19 O 0.22748 0.46792 0.51989 1.00000
O20 O 0.53271 0.76947 0.02184 1.00000
O21 O 0.72366 0.96985 0.23176 1.00000
O22 O 0.03094 0.27055 0.73903 1.00000
O23 O 0.45611 0.76183 0.71761 1.00000
O24 O 0.04202 0.73128 0.52313 1.00000
