KCdGePt
Alexandria ALEXAlex-ID: agm005189377 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1534_spg160
K3Cd16 K(GePt)2 KGePt
2022-07-10 13:18:50.258978
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005189377).
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 agm005189377
data_agm005189377
_cell_length_a 4.42271
_cell_length_b 4.42271
_cell_length_c 6.81629
_cell_angle_alpha 89.95929
_cell_angle_beta 108.95920
_cell_angle_gamma 120.02422
_cell_volume 107.02166
_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 0.40329 0.06654 0.46982 1.00000
Cd1 Cd 0.00859 0.86886 0.87745 1.00000
Ge1 Ge 0.49391 0.61162 0.10553 1.00000
Pt1 Pt 0.78633 0.25741 0.04374 1.00000
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