KSbPt3
Alexandria ALEXAlex-ID: agm005879934 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7839_spg63
K(SbPt)2 Sb2Pt3 KPt2
2023-07-04 09:45:52.171160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005879934).
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 agm005879934
data_agm005879934
_cell_length_a 6.45929
_cell_length_b 5.99334
_cell_length_c 6.45934
_cell_angle_alpha 90.00002
_cell_angle_beta 119.67812
_cell_angle_gamma 90.00002
_cell_volume 217.25606
_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 0.77254 0.94762 0.02441 1.00000
K2 K 0.26178 0.44762 0.53618 1.00000
Sb1 Sb 0.91435 0.44762 0.88291 1.00000
Sb2 Sb 0.11996 0.94762 0.67768 1.00000
Pt1 Pt 0.68623 0.44762 0.11169 1.00000
Pt2 Pt 0.34809 0.94762 0.44890 1.00000
Pt3 Pt 0.72916 0.19749 0.49230 1.00000
Pt4 Pt 0.72916 0.69774 0.49230 1.00000
Pt5 Pt 0.30515 0.69749 0.06829 1.00000
Pt6 Pt 0.30515 0.19774 0.06829 1.00000
Get direct link