TbY2Th3
Alexandria ALEXAlex-ID: agm005678343 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_893_spg63
TbYTh2 Y2Th Y2Th3
2023-08-25 08:35:01.726436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678343).
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 agm005678343
data_agm005678343
_cell_length_a 6.73283
_cell_length_b 11.34505
_cell_length_c 7.64207
_cell_angle_alpha 137.92565
_cell_angle_beta 90.00006
_cell_angle_gamma 90.00000
_cell_volume 391.15709
_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 0.25000 0.22891 1.00000 1.00000
Tb2 Tb 0.75000 0.77109 0.00000 1.00000
Y1 Y 0.75000 0.43671 0.33408 1.00000
Y2 Y 0.25000 0.56329 0.66592 1.00000
Y3 Y 0.25000 0.89737 0.33408 1.00000
Y4 Y 0.75000 0.10263 0.66592 1.00000
Th1 Th 0.00000 0.16616 0.33233 1.00000
Th2 Th 0.50000 0.83384 0.66767 1.00000
Th3 Th 0.00000 0.50000 0.00000 1.00000
Th4 Th 0.50000 0.50000 0.00000 1.00000
Th5 Th 1.00000 0.83384 0.66767 1.00000
Th6 Th 0.50000 0.16616 0.33233 1.00000
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