K2GeH6
Alexandria ALEXAlex-ID: agm070979672 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6064_spg4
KH7 KGeH3 KH
2024-10-22 06:58:15.641505
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070979672).
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 agm070979672
data_agm070979672
_cell_length_a 6.74227
_cell_length_b 9.29508
_cell_length_c 11.69853
_cell_angle_alpha 54.66192
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 598.06657
_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 0.67929 0.30380 0.82233 1.00000
K2 K 0.17929 0.69620 0.17767 1.00000
K3 K 0.09957 0.20776 0.47688 1.00000
K4 K 0.59957 0.79224 0.52312 1.00000
K5 K 0.59956 0.16254 0.55239 1.00000
K6 K 0.09956 0.83746 0.44761 1.00000
K7 K 0.18063 0.61915 0.82793 1.00000
K8 K 0.68063 0.38085 0.17207 1.00000
Ge1 Ge 0.28744 0.15019 0.09960 1.00000
Ge2 Ge 0.78744 0.84981 0.90040 1.00000
Ge3 Ge 0.15798 0.36586 0.67184 1.00000
Ge4 Ge 0.65798 0.63414 0.32816 1.00000
H1 H 0.95944 0.24980 0.66832 1.00000
H2 H 0.45944 0.75020 0.33168 1.00000
H3 H 0.45438 0.34253 0.00204 1.00000
H4 H 0.95438 0.65747 0.99796 1.00000
H5 H 0.60900 0.71830 0.96015 1.00000
H6 H 0.32157 0.91878 0.59697 1.00000
H7 H 0.10900 0.28170 0.03985 1.00000
H8 H 0.82157 0.08122 0.40303 1.00000
H9 H 0.61661 0.48447 0.48686 1.00000
H10 H 0.88584 0.91985 0.98035 1.00000
H11 H 0.38584 0.08015 0.01965 1.00000
H12 H 0.11661 0.51553 0.51314 1.00000
H13 H 0.31729 0.23470 0.68383 1.00000
H14 H 0.81729 0.76530 0.31617 1.00000
H15 H 0.88531 0.60539 0.68328 1.00000
H16 H 0.38531 0.39461 0.31672 1.00000
H17 H 0.38200 0.10464 0.23874 1.00000
H18 H 0.09329 0.31038 0.82017 1.00000
H19 H 0.88200 0.89536 0.76126 1.00000
H20 H 0.59329 0.68962 0.17983 1.00000
H21 H 0.84060 0.49438 0.32963 1.00000
H22 H 0.12972 0.97610 0.18307 1.00000
H23 H 0.62972 0.02390 0.81693 1.00000
H24 H 0.34060 0.50562 0.67037 1.00000
