Ho(Tl3Bi4)2
Alexandria ALEXAlex-ID: agm072575399 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_113_spg148
Tl2Bi Bi HoBi
2024-10-06 12:28:58.442825
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072575399).
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 agm072575399
data_agm072575399
_cell_length_a 8.30149
_cell_length_b 8.30149
_cell_length_c 8.30149
_cell_angle_alpha 73.44529
_cell_angle_beta 73.44529
_cell_angle_gamma 73.44529
_cell_volume 512.56171
_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 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.18967 0.63398 0.43625 1.00000
Tl2 Tl 0.43625 0.18967 0.63398 1.00000
Tl3 Tl 0.63398 0.43625 0.18967 1.00000
Tl4 Tl 0.81033 0.36602 0.56375 1.00000
Tl5 Tl 0.56375 0.81033 0.36602 1.00000
Tl6 Tl 0.36602 0.56375 0.81033 1.00000
Bi1 Bi 0.18847 0.18847 0.18847 1.00000
Bi2 Bi 0.81153 0.81153 0.81153 1.00000
Bi3 Bi 0.84495 0.01719 0.39996 1.00000
Bi4 Bi 0.39996 0.84495 0.01719 1.00000
Bi5 Bi 0.01719 0.39996 0.84495 1.00000
Bi6 Bi 0.15505 0.98281 0.60004 1.00000
Bi7 Bi 0.60004 0.15505 0.98281 1.00000
Bi8 Bi 0.98281 0.60004 0.15505 1.00000
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