Tb3Y8Sc
Alexandria ALEXAlex-ID: agm015513697 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_427_spg8
Tb2Y7 Tb5Y Sc
2025-02-03 03:22:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015513697).
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
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# CIF generated by HEAS from Alexandria entry agm015513697
data_agm015513697
_cell_length_a 8.79704
_cell_length_b 3.57922
_cell_length_c 12.36916
_cell_angle_alpha 90.00000
_cell_angle_beta 103.57566
_cell_angle_gamma 90.00000
_cell_volume 378.58105
_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 0.01289 0.00000 0.12950 1.00000
Tb2 Tb 0.66830 0.00000 0.73572 1.00000
Tb3 Tb 0.00276 0.50000 0.87591 1.00000
Y1 Y 0.33595 0.00000 0.01765 1.00000
Y2 Y 0.00107 0.50000 0.37302 1.00000
Y3 Y 0.65903 0.00000 0.23671 1.00000
Y4 Y 0.66535 0.50000 0.48448 1.00000
Y5 Y 0.33577 0.00000 0.50804 1.00000
Y6 Y 0.33824 0.50000 0.76397 1.00000
Y7 Y 0.67133 0.50000 0.98883 1.00000
Y8 Y 0.00341 0.00000 0.62470 1.00000
Sc1 Sc 0.33623 0.50000 0.26490 1.00000
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