K4In3Pt2
Alexandria ALEXAlex-ID: agm005616640 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_9_spg12
K2In3Pt2 K
2023-06-27 06:26:04.004908
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005616640).
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 agm005616640
data_agm005616640
_cell_length_a 4.21900
_cell_length_b 8.43534
_cell_length_c 9.40137
_cell_angle_alpha 107.65028
_cell_angle_beta 102.96654
_cell_angle_gamma 89.99998
_cell_volume 309.86721
_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 0.22537 0.67707 0.45075 1.00000
K2 K 0.77463 0.32293 0.54925 1.00000
K3 K 0.57977 0.87760 0.15954 1.00000
K4 K 0.42023 0.12240 0.84046 1.00000
In1 In 0.10325 0.24651 0.20650 1.00000
In2 In 0.89675 0.75349 0.79350 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
Pt1 Pt 0.41728 0.56916 0.83456 1.00000
Pt2 Pt 0.58272 0.43084 0.16544 1.00000
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