Ho8ThBi6
Alexandria ALEXAlex-ID: agm072996641 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_63_spg148
Ho5Bi3 Th HoBi
2024-10-06 12:33:52.640282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072996641).
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 agm072996641
data_agm072996641
_cell_length_a 8.24902
_cell_length_b 8.24902
_cell_length_c 8.24902
_cell_angle_alpha 67.94689
_cell_angle_beta 67.94689
_cell_angle_gamma 67.94689
_cell_volume 463.87097
_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
Ho1 Ho 0.82624 0.82624 0.82624 1.00000
Ho2 Ho 0.17376 0.17376 0.17376 1.00000
Ho3 Ho 0.32434 0.58664 0.83299 1.00000
Ho4 Ho 0.58664 0.83299 0.32434 1.00000
Ho5 Ho 0.83299 0.32434 0.58664 1.00000
Ho6 Ho 0.67566 0.41336 0.16701 1.00000
Ho7 Ho 0.41336 0.16701 0.67566 1.00000
Ho8 Ho 0.16701 0.67566 0.41336 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.97500 0.57692 0.19839 1.00000
Bi2 Bi 0.57692 0.19839 0.97500 1.00000
Bi3 Bi 0.19839 0.97500 0.57692 1.00000
Bi4 Bi 0.02500 0.42308 0.80161 1.00000
Bi5 Bi 0.42308 0.80161 0.02500 1.00000
Bi6 Bi 0.80161 0.02500 0.42308 1.00000
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