TbDy(ThBi2)2
Alexandria ALEXAlex-ID: agm033539481 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
TbDy2ThBi4 Tb2DyThBi4 Th2Bi Th3Bi4
2025-02-03 08:10:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033539481).
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 agm033539481
data_agm033539481
_cell_length_a 9.08197
_cell_length_b 9.08197
_cell_length_c 9.08197
_cell_angle_alpha 119.97838
_cell_angle_beta 120.01840
_cell_angle_gamma 90.00279
_cell_volume 529.70668
_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 0.50000 0.50000 0.00000 1.00000
Tb2 Tb 0.00000 0.50000 0.50000 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.50000 0.00000 0.50000 1.00000
Th3 Th 0.00000 0.50000 0.00000 1.00000
Th4 Th 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.25318 0.25879 0.50561 1.00000
Bi2 Bi 0.25318 0.74757 0.99439 1.00000
Bi3 Bi 0.74682 0.25243 0.00561 1.00000
Bi4 Bi 0.74682 0.74121 0.49439 1.00000
Bi5 Bi 0.74080 0.74719 0.99361 1.00000
Bi6 Bi 0.25358 0.74719 0.50639 1.00000
Bi7 Bi 0.74642 0.25281 0.49361 1.00000
Bi8 Bi 0.25920 0.25281 0.00639 1.00000
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