La12NdY6
Alexandria ALEXAlex-ID: agm006116767 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_30_spg148
La7Y La5Nd LaY2
2023-08-30 03:17:35.882524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116767).
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 agm006116767
data_agm006116767
_cell_length_a 9.02078
_cell_length_b 9.75025
_cell_length_c 9.75025
_cell_angle_alpha 69.06314
_cell_angle_beta 72.03748
_cell_angle_gamma 107.96252
_cell_volume 672.05168
_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 0.52585 0.84251 0.26308 1.00000
La2 La 0.68334 0.89442 0.84251 1.00000
La3 La 0.78892 0.26308 0.89442 1.00000
La4 La 0.47415 0.15749 0.73692 1.00000
La5 La 0.31666 0.10558 0.15749 1.00000
La6 La 0.21108 0.73692 0.10558 1.00000
La7 La 0.26498 0.42349 0.63108 1.00000
La8 La 0.10394 0.36892 0.05457 1.00000
La9 La 0.15851 0.05457 0.57651 1.00000
La10 La 0.73502 0.57651 0.36892 1.00000
La11 La 0.89606 0.63108 0.94543 1.00000
La12 La 0.84149 0.94543 0.42349 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.42026 0.47076 0.21168 1.00000
Y2 Y 0.05050 0.68244 0.52924 1.00000
Y3 Y 0.36806 0.78832 0.68244 1.00000
Y4 Y 0.57974 0.52924 0.78832 1.00000
Y5 Y 0.94950 0.31756 0.47076 1.00000
Y6 Y 0.63194 0.21168 0.31756 1.00000
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