KRb2Bi2Pb
Alexandria ALEXAlex-ID: agm004739701 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_274_spg72
Rb8Bi4Pb KBiPb K8Bi4Pb RbBi
2022-07-11 23:37:04.077503
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004739701).
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 agm004739701
data_agm004739701
_cell_length_a 8.18967
_cell_length_b 7.76956
_cell_length_c 10.41050
_cell_angle_alpha 111.91062
_cell_angle_beta 113.16230
_cell_angle_gamma 90.00000
_cell_volume 556.60603
_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 0.00000 0.75000 0.00000 1.00000
K2 K 0.00000 0.25000 0.00000 1.00000
Rb1 Rb 0.44543 0.17471 0.34942 1.00000
Rb2 Rb 0.55457 0.82529 0.65058 1.00000
Rb3 Rb 0.09600 0.32529 0.65058 1.00000
Rb4 Rb 0.90400 0.67471 0.34942 1.00000
Bi1 Bi 0.81970 0.10785 0.21570 1.00000
Bi2 Bi 0.39600 0.60785 0.21570 1.00000
Bi3 Bi 0.60400 0.39215 0.78430 1.00000
Bi4 Bi 0.18030 0.89215 0.78430 1.00000
Pb1 Pb 0.50000 0.75000 0.00000 1.00000
Pb2 Pb 0.50000 0.25000 0.00000 1.00000
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