Cs2HfBi2
Alexandria ALEXAlex-ID: agm034158565 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1250_spg15
Cs5Bi4 Hf2Bi Hf
2024-08-25 21:50:25.719766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034158565).
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 agm034158565
data_agm034158565
_cell_length_a 9.78933
_cell_length_b 9.78933
_cell_length_c 9.78933
_cell_angle_alpha 135.64319
_cell_angle_beta 128.66746
_cell_angle_gamma 70.13535
_cell_volume 502.16658
_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
Cs1 Cs 0.00862 0.85070 0.15792 1.00000
Cs2 Cs 0.99138 0.14930 0.84208 1.00000
Cs3 Cs 0.30722 0.64930 0.65792 1.00000
Cs4 Cs 0.69278 0.35070 0.34208 1.00000
Hf1 Hf 0.50000 0.25000 0.75000 1.00000
Hf2 Hf 0.50000 0.75000 0.25000 1.00000
Bi1 Bi 0.78255 0.60163 0.18092 1.00000
Bi2 Bi 0.21745 0.39837 0.81908 1.00000
Bi3 Bi 0.57929 0.89837 0.68092 1.00000
Bi4 Bi 0.42071 0.10163 0.31908 1.00000
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