Tb7Dy12Sc
Alexandria ALEXAlex-ID: agm005778948 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_97_spg148
Tb5Dy TbDy5 Sc
2023-07-16 08:54:21.730222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778948).
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 agm005778948
data_agm005778948
_cell_length_a 6.62766
_cell_length_b 10.93225
_cell_length_c 10.93240
_cell_angle_alpha 63.97553
_cell_angle_beta 78.34195
_cell_angle_gamma 101.65794
_cell_volume 657.97507
_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
Tb1 Tb 0.80566 0.16368 0.13519 1.00000
Tb2 Tb 0.05916 0.86481 0.29887 1.00000
Tb3 Tb 0.35803 0.29887 0.83632 1.00000
Tb4 Tb 0.50000 0.00000 0.00000 1.00000
Tb5 Tb 0.64197 0.70113 0.16368 1.00000
Tb6 Tb 0.94084 0.13519 0.70113 1.00000
Tb7 Tb 0.19434 0.83632 0.86481 1.00000
Dy1 Dy 0.73275 0.47887 0.06648 1.00000
Dy2 Dy 0.20077 0.93352 0.54535 1.00000
Dy3 Dy 0.29756 0.21108 0.21223 1.00000
Dy4 Dy 0.49022 0.78777 0.42331 1.00000
Dy5 Dy 0.74611 0.54534 0.52113 1.00000
Dy6 Dy 0.91353 0.42331 0.78892 1.00000
Dy7 Dy 0.08647 0.57669 0.21108 1.00000
Dy8 Dy 0.25389 0.45466 0.47887 1.00000
Dy9 Dy 0.50978 0.21223 0.57669 1.00000
Dy10 Dy 0.70244 0.78892 0.78777 1.00000
Dy11 Dy 0.79923 0.06648 0.45465 1.00000
Dy12 Dy 0.26725 0.52113 0.93352 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
