Nd3Y5O12
Alexandria ALEXAlex-ID: agm008588682 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12_518_spg1
Nd2O3 Y2O3
2025-02-25 08:23:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008588682).
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 agm008588682
data_agm008588682
_cell_length_a 9.40295
_cell_length_b 9.42544
_cell_length_c 9.42728
_cell_angle_alpha 109.53361
_cell_angle_beta 109.29017
_cell_angle_gamma 109.40937
_cell_volume 644.60271
_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 0.46949 0.25044 0.72179 1.00000
Nd2 Nd 0.53403 0.74978 0.28330 1.00000
Nd3 Nd 0.02927 0.74762 0.77876 1.00000
Nd4 Nd 0.75233 0.21971 0.46683 1.00000
Nd5 Nd 0.24831 0.28261 0.03119 1.00000
Nd6 Nd 0.27890 0.03190 0.24979 1.00000
Y1 Y 0.50158 0.99643 0.99701 1.00000
Y2 Y 0.71638 0.96595 0.75205 1.00000
Y3 Y 0.74853 0.71838 0.96841 1.00000
Y4 Y 0.24955 0.77893 0.53237 1.00000
Y5 Y 0.96477 0.25107 0.21481 1.00000
Y6 Y 0.49688 0.50323 0.50370 1.00000
Y7 Y 0.00066 0.99847 0.49694 1.00000
Y8 Y 0.21603 0.46619 0.74755 1.00000
Y9 Y 0.99914 0.50075 0.00183 1.00000
Y10 Y 0.78667 0.53461 0.25031 1.00000
O1 O 0.73532 0.46391 0.97603 1.00000
O2 O 0.51088 0.03421 0.77184 1.00000
O3 O 0.26560 0.02912 0.98553 1.00000
O4 O 0.45779 0.72874 0.49422 1.00000
O5 O 0.22999 0.22700 0.76106 1.00000
O6 O 0.04456 0.53242 0.27132 1.00000
O7 O 0.76228 0.73853 0.72853 1.00000
O8 O 0.98842 0.75965 0.52425 1.00000
O9 O 0.47009 0.51728 0.74532 1.00000
O10 O 0.72861 0.26970 0.22935 1.00000
O11 O 0.96025 0.23020 0.95868 1.00000
O12 O 0.22747 0.98224 0.46089 1.00000
O13 O 0.27376 0.72599 0.75690 1.00000
O14 O 0.77831 0.01090 0.54839 1.00000
O15 O 0.53792 0.48954 0.26805 1.00000
O16 O 0.02250 0.76524 0.03967 1.00000
O17 O 0.01511 0.23994 0.46588 1.00000
O18 O 0.22810 0.26742 0.27569 1.00000
O19 O 0.76773 0.77321 0.23031 1.00000
O20 O 0.96373 0.46812 0.73648 1.00000
O21 O 0.54138 0.28009 0.51298 1.00000
O22 O 0.74151 0.96869 0.01272 1.00000
O23 O 0.26572 0.54153 0.02553 1.00000
O24 O 0.49047 0.96027 0.22376 1.00000
