CsSb2(PtPb)2
Alexandria ALEXAlex-ID: agm023453050 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
Sb2Pt CsPtPb4 Cs(SbPt)2
2024-09-13 12:56:43.608967
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023453050).
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 agm023453050
data_agm023453050
_cell_length_a 13.25435
_cell_length_b 13.25435
_cell_length_c 13.25435
_cell_angle_alpha 19.25270
_cell_angle_beta 19.25270
_cell_angle_gamma 19.25270
_cell_volume 221.31078
_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 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.74077 0.74077 0.74077 1.00000
Sb2 Sb 0.25923 0.25923 0.25923 1.00000
Pt1 Pt 0.57583 0.57583 0.57583 1.00000
Pt2 Pt 0.42417 0.42417 0.42417 1.00000
Pb1 Pb 0.13104 0.13104 0.13104 1.00000
Pb2 Pb 0.86896 0.86896 0.86896 1.00000
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