Nd12Y6Tm
Alexandria ALEXAlex-ID: agm006116836 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_163_spg166
NdY2 YTm2 Nd
2023-08-30 05:03:48.325965
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116836).
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 agm006116836
data_agm006116836
_cell_length_a 9.84296
_cell_length_b 9.84296
_cell_length_c 9.84296
_cell_angle_alpha 111.73542
_cell_angle_beta 111.73542
_cell_angle_gamma 111.73543
_cell_volume 665.50174
_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 0.87997 0.12003 0.50000 1.00000
Nd2 Nd 0.27255 0.91189 0.27255 1.00000
Nd3 Nd 0.27255 0.27255 0.91189 1.00000
Nd4 Nd 0.08811 0.72745 0.72745 1.00000
Nd5 Nd 0.72745 0.72745 0.08811 1.00000
Nd6 Nd 0.72745 0.08811 0.72745 1.00000
Nd7 Nd 0.50000 0.87997 0.12003 1.00000
Nd8 Nd 0.12003 0.50000 0.87997 1.00000
Nd9 Nd 0.12003 0.87997 0.50000 1.00000
Nd10 Nd 0.50000 0.12003 0.87997 1.00000
Nd11 Nd 0.87997 0.50000 0.12003 1.00000
Nd12 Nd 0.91189 0.27255 0.27255 1.00000
Y1 Y 0.72745 0.47902 0.72745 1.00000
Y2 Y 0.72745 0.72745 0.47902 1.00000
Y3 Y 0.47902 0.72745 0.72745 1.00000
Y4 Y 0.27255 0.27255 0.52098 1.00000
Y5 Y 0.27255 0.52098 0.27255 1.00000
Y6 Y 0.52098 0.27255 0.27255 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
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