K3PPt3
Alexandria ALEXAlex-ID: agm079685405 · Space group: P2_13 (#198)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_2973_spg198
K2PPt KPt2
2025-02-03 00:51:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079685405).
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 agm079685405
data_agm079685405
_cell_length_a 9.45217
_cell_length_b 9.45217
_cell_length_c 9.45217
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 844.48912
_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 0.89312 0.29796 0.42521 1.00000
K2 K 0.60688 0.70204 0.92521 1.00000
K3 K 0.10688 0.79796 0.07479 1.00000
K4 K 0.39312 0.20204 0.57479 1.00000
K5 K 0.42521 0.89312 0.29796 1.00000
K6 K 0.92521 0.60688 0.70204 1.00000
K7 K 0.07479 0.10688 0.79796 1.00000
K8 K 0.57479 0.39312 0.20204 1.00000
K9 K 0.29796 0.42521 0.89312 1.00000
K10 K 0.70204 0.92521 0.60688 1.00000
K11 K 0.79796 0.07479 0.10688 1.00000
K12 K 0.20204 0.57479 0.39312 1.00000
P1 P 0.21726 0.21726 0.21726 1.00000
P2 P 0.28274 0.78274 0.71726 1.00000
P3 P 0.78274 0.71726 0.28274 1.00000
P4 P 0.71726 0.28274 0.78274 1.00000
Pt1 Pt 0.06908 0.38158 0.13874 1.00000
Pt2 Pt 0.43092 0.61842 0.63874 1.00000
Pt3 Pt 0.93092 0.88158 0.36126 1.00000
Pt4 Pt 0.56908 0.11842 0.86126 1.00000
Pt5 Pt 0.13874 0.06908 0.38158 1.00000
Pt6 Pt 0.63874 0.43092 0.61842 1.00000
Pt7 Pt 0.36126 0.93092 0.88158 1.00000
Pt8 Pt 0.86126 0.56908 0.11842 1.00000
Pt9 Pt 0.38158 0.13874 0.06908 1.00000
Pt10 Pt 0.61842 0.63874 0.43092 1.00000
Pt11 Pt 0.88158 0.36126 0.93092 1.00000
Pt12 Pt 0.11842 0.86126 0.56908 1.00000
