Hf5Ti2Bi5
Alexandria ALEXAlex-ID: agm003373370 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_20_spg12
Hf2Bi Ti8Bi9 HfBi
2022-02-08 22:07:19.180646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373370).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003373370
data_agm003373370
_cell_length_a 3.85572
_cell_length_b 7.49467
_cell_length_c 11.60150
_cell_angle_alpha 118.91273
_cell_angle_beta 90.00000
_cell_angle_gamma 104.90581
_cell_volume 280.50874
_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
Hf1 Hf 0.50000 0.00000 0.50000 1.00000
Hf2 Hf 0.66676 0.33353 0.00229 1.00000
Hf3 Hf 0.61661 0.23321 0.25247 1.00000
Hf4 Hf 0.38339 0.76679 0.74753 1.00000
Hf5 Hf 0.33324 0.66647 0.99771 1.00000
Ti1 Ti 0.06024 0.12048 0.77502 1.00000
Ti2 Ti 0.93976 0.87952 0.22498 1.00000
Bi1 Bi 0.14409 0.28818 0.47375 1.00000
Bi2 Bi 0.71141 0.42282 0.76183 1.00000
Bi3 Bi 0.28859 0.57718 0.23817 1.00000
Bi4 Bi 0.85591 0.71182 0.52625 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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