K3Ge4Pd7
Alexandria ALEXAlex-ID: agm005693863 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_33_spg12
KGe2Pd3 GePd2 K
2023-06-29 16:44:30.372594
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693863).
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 agm005693863
data_agm005693863
_cell_length_a 4.21903
_cell_length_b 8.66862
_cell_length_c 8.77516
_cell_angle_alpha 82.94806
_cell_angle_beta 76.09008
_cell_angle_gamma 75.91562
_cell_volume 301.45401
_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 0.28040 0.21486 0.22434 1.00000
K2 K 0.71960 0.78514 0.77566 1.00000
K3 K 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.63987 0.53195 0.18832 1.00000
Ge2 Ge 0.36013 0.46805 0.81168 1.00000
Ge3 Ge 0.89960 0.89864 0.30216 1.00000
Ge4 Ge 0.10040 0.10136 0.69784 1.00000
Pd1 Pd 0.31395 0.90345 0.46866 1.00000
Pd2 Pd 0.49004 0.17660 0.84333 1.00000
Pd3 Pd 0.83587 0.38017 0.94808 1.00000
Pd4 Pd 0.68605 0.09655 0.53134 1.00000
Pd5 Pd 0.16413 0.61983 0.05192 1.00000
Pd6 Pd 0.00000 0.00000 0.00000 1.00000
Pd7 Pd 0.50996 0.82340 0.15667 1.00000
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