Tb3(YTh2)2
Alexandria ALEXAlex-ID: agm005663196 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_899_spg2
TbYTh2 Tb5Y Tb2Th
2023-06-29 06:30:55.190443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663196).
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 agm005663196
data_agm005663196
_cell_length_a 5.05084
_cell_length_b 7.96553
_cell_length_c 14.65964
_cell_angle_alpha 144.14201
_cell_angle_beta 90.00000
_cell_angle_gamma 108.48423
_cell_volume 290.51249
_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 0.55543 0.11086 0.67131 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tb3 Tb 0.44457 0.88914 0.32869 1.00000
Y1 Y 0.77358 0.54716 0.33247 1.00000
Y2 Y 0.22642 0.45284 0.66753 1.00000
Th1 Th 0.66582 0.33164 0.99643 1.00000
Th2 Th 0.33418 0.66836 0.00357 1.00000
Th3 Th 0.89075 0.78151 0.66713 1.00000
Th4 Th 0.10925 0.21849 0.33287 1.00000
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