TbY3Sc2
Alexandria ALEXAlex-ID: agm005665276 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1045_spg63
Tb2Y7 Tb5Y Sc
2023-08-24 18:42:19.509369
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665276).
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 agm005665276
data_agm005665276
_cell_length_a 5.45267
_cell_length_b 8.68686
_cell_length_c 8.68686
_cell_angle_alpha 111.90467
_cell_angle_beta 89.99998
_cell_angle_gamma 90.00002
_cell_volume 381.76111
_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 0.99301 0.72085 0.72085 1.00000
Tb2 Tb 0.49301 0.27915 0.27915 1.00000
Y1 Y 0.99299 0.88860 0.37430 1.00000
Y2 Y 0.49299 0.62570 0.11140 1.00000
Y3 Y 0.99299 0.37430 0.88860 1.00000
Y4 Y 0.49299 0.11140 0.62570 1.00000
Y5 Y 0.49302 0.90418 0.90418 1.00000
Y6 Y 0.99302 0.09582 0.09582 1.00000
Sc1 Sc 0.49300 0.69912 0.48820 1.00000
Sc2 Sc 0.99300 0.51180 0.30088 1.00000
Sc3 Sc 0.49300 0.48820 0.69912 1.00000
Sc4 Sc 0.99300 0.30088 0.51180 1.00000
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