K3AsPt2
Alexandria ALEXAlex-ID: agm005673492 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2516_spg14
K2AsPt K KPt2
2023-08-19 04:26:16.012091
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673492).
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 agm005673492
data_agm005673492
_cell_length_a 6.90907
_cell_length_b 10.90688
_cell_length_c 10.48513
_cell_angle_alpha 90.00000
_cell_angle_beta 99.84715
_cell_angle_gamma 90.00000
_cell_volume 778.48063
_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 0.25323 0.90422 0.99022 1.00000
K2 K 0.24677 0.40422 0.50978 1.00000
K3 K 0.74677 0.09578 0.00978 1.00000
K4 K 0.75323 0.59578 0.49022 1.00000
K5 K 0.58003 0.40746 0.16328 1.00000
K6 K 0.91997 0.90746 0.33672 1.00000
K7 K 0.41997 0.59254 0.83672 1.00000
K8 K 0.08003 0.09254 0.66328 1.00000
K9 K 0.08161 0.61706 0.17026 1.00000
K10 K 0.41839 0.11706 0.32974 1.00000
K11 K 0.91839 0.38294 0.82974 1.00000
K12 K 0.58161 0.88294 0.67026 1.00000
As1 As 0.42561 0.80889 0.33353 1.00000
As2 As 0.07439 0.30889 0.16647 1.00000
As3 As 0.57439 0.19111 0.66647 1.00000
As4 As 0.92561 0.69111 0.83353 1.00000
Pt1 Pt 0.57944 0.72661 0.17013 1.00000
Pt2 Pt 0.92056 0.22661 0.32987 1.00000
Pt3 Pt 0.42056 0.27339 0.82987 1.00000
Pt4 Pt 0.07944 0.77339 0.67013 1.00000
Pt5 Pt 0.25853 0.71768 0.48624 1.00000
Pt6 Pt 0.24147 0.21768 0.01376 1.00000
Pt7 Pt 0.74147 0.28232 0.51376 1.00000
Pt8 Pt 0.75853 0.78232 0.98624 1.00000
