K3Bi5Pt2
Alexandria ALEXAlex-ID: agm003343752 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_105_spg72
KBiPt K(BiPt)2 KBi2
2022-01-30 21:09:11.568427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003343752).
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 agm003343752
data_agm003343752
_cell_length_a 7.46756
_cell_length_b 10.65686
_cell_length_c 10.65686
_cell_angle_alpha 66.32165
_cell_angle_beta 69.49046
_cell_angle_gamma 69.49044
_cell_volume 705.38887
_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
K1 K 0.25000 0.00000 0.00000 1.00000
K2 K 0.75000 0.00000 0.00000 1.00000
K3 K 0.35573 0.41352 0.87503 1.00000
K4 K 0.64427 0.58648 0.12497 1.00000
K5 K 0.85573 0.87503 0.41352 1.00000
K6 K 0.14427 0.12497 0.58648 1.00000
Bi1 Bi 0.25000 0.50000 0.50000 1.00000
Bi2 Bi 0.75000 0.50000 0.50000 1.00000
Bi3 Bi 0.47898 0.77102 0.77102 1.00000
Bi4 Bi 0.02102 0.22898 0.22898 1.00000
Bi5 Bi 0.52102 0.22898 0.22898 1.00000
Bi6 Bi 0.97898 0.77102 0.77102 1.00000
Bi7 Bi 0.12888 0.51348 0.22875 1.00000
Bi8 Bi 0.87112 0.48652 0.77125 1.00000
Bi9 Bi 0.62888 0.22875 0.51348 1.00000
Bi10 Bi 0.37112 0.77125 0.48652 1.00000
Pt1 Pt 0.15423 0.71417 0.97737 1.00000
Pt2 Pt 0.84577 0.28583 0.02263 1.00000
Pt3 Pt 0.65423 0.97737 0.71417 1.00000
Pt4 Pt 0.34577 0.02263 0.28583 1.00000
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