TbHo(ThBi2)2
Alexandria ALEXAlex-ID: agm034189075 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
TbHo2ThBi4 Tb3ThBi4 Th2Bi Th3Bi4
2025-02-06 17:52:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034189075).
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 agm034189075
data_agm034189075
_cell_length_a 9.07378
_cell_length_b 9.07378
_cell_length_c 9.07378
_cell_angle_alpha 119.99206
_cell_angle_beta 120.00710
_cell_angle_gamma 90.00073
_cell_volume 528.26554
_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
Ho1 Ho 0.50000 0.00000 0.00000 1.00000
Ho2 Ho 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 0.25358 0.25925 0.50567 1.00000
Bi2 Bi 0.25358 0.74790 0.99433 1.00000
Bi3 Bi 0.74642 0.25210 0.00567 1.00000
Bi4 Bi 0.74642 0.74075 0.49433 1.00000
Bi5 Bi 0.73996 0.74715 0.99281 1.00000
Bi6 Bi 0.25433 0.74715 0.50719 1.00000
Bi7 Bi 0.74567 0.25285 0.49281 1.00000
Bi8 Bi 0.26004 0.25285 0.00719 1.00000
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