Nd(YTm2)6
Alexandria ALEXAlex-ID: agm006100731 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_10_spg166
YTm2 Nd
2023-08-30 03:52:42.326247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100731).
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 agm006100731
data_agm006100731
_cell_length_a 9.29938
_cell_length_b 9.29938
_cell_length_c 9.29938
_cell_angle_alpha 108.41622
_cell_angle_beta 108.41623
_cell_angle_gamma 108.41623
_cell_volume 642.11290
_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 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.67799 0.25193 0.67799 1.00000
Y2 Y 0.67799 0.67799 0.25193 1.00000
Y3 Y 0.25193 0.67799 0.67799 1.00000
Y4 Y 0.32201 0.32201 0.74807 1.00000
Y5 Y 0.32201 0.74807 0.32201 1.00000
Y6 Y 0.74807 0.32201 0.32201 1.00000
Tm1 Tm 0.89159 0.10841 0.50000 1.00000
Tm2 Tm 0.36396 0.15159 0.36396 1.00000
Tm3 Tm 0.36396 0.36396 0.15159 1.00000
Tm4 Tm 0.84841 0.63604 0.63604 1.00000
Tm5 Tm 0.63604 0.63604 0.84841 1.00000
Tm6 Tm 0.63604 0.84841 0.63604 1.00000
Tm7 Tm 0.50000 0.89159 0.10841 1.00000
Tm8 Tm 0.10841 0.50000 0.89159 1.00000
Tm9 Tm 0.10841 0.89159 0.50000 1.00000
Tm10 Tm 0.50000 0.10841 0.89159 1.00000
Tm11 Tm 0.89159 0.50000 0.10841 1.00000
Tm12 Tm 0.15159 0.36396 0.36396 1.00000
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