K6GeH2
Alexandria ALEXAlex-ID: agm071243478 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_5873_spg212
KGe K KH
2024-08-16 14:31:41.766202
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071243478).
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 agm071243478
data_agm071243478
_cell_length_a 10.98867
_cell_length_b 10.98867
_cell_length_c 10.98867
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1326.89051
_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 0.87561 0.94756 0.33813 1.00000
K2 K 0.62439 0.05244 0.83813 1.00000
K3 K 0.12439 0.44756 0.16187 1.00000
K4 K 0.37561 0.55244 0.66187 1.00000
K5 K 0.33813 0.87561 0.94756 1.00000
K6 K 0.83813 0.62439 0.05244 1.00000
K7 K 0.16187 0.12439 0.44756 1.00000
K8 K 0.66187 0.37561 0.55244 1.00000
K9 K 0.94756 0.33813 0.87561 1.00000
K10 K 0.05244 0.83813 0.62439 1.00000
K11 K 0.44756 0.16187 0.12439 1.00000
K12 K 0.55244 0.66187 0.37561 1.00000
K13 K 0.19756 0.62561 0.41187 1.00000
K14 K 0.30244 0.37439 0.91187 1.00000
K15 K 0.69756 0.87439 0.58813 1.00000
K16 K 0.80244 0.12561 0.08813 1.00000
K17 K 0.12561 0.08813 0.80244 1.00000
K18 K 0.87439 0.58813 0.69756 1.00000
K19 K 0.37439 0.91187 0.30244 1.00000
K20 K 0.62561 0.41187 0.19756 1.00000
K21 K 0.58813 0.69756 0.87439 1.00000
K22 K 0.08813 0.80244 0.12561 1.00000
K23 K 0.41187 0.19756 0.62561 1.00000
K24 K 0.91187 0.30244 0.37439 1.00000
Ge1 Ge 0.12500 0.12500 0.12500 1.00000
Ge2 Ge 0.37500 0.87500 0.62500 1.00000
Ge3 Ge 0.87500 0.62500 0.37500 1.00000
Ge4 Ge 0.62500 0.37500 0.87500 1.00000
H1 H 0.80156 0.80156 0.80156 1.00000
H2 H 0.69844 0.19844 0.30156 1.00000
H3 H 0.19844 0.30156 0.69844 1.00000
H4 H 0.30156 0.69844 0.19844 1.00000
H5 H 0.05156 0.55156 0.94844 1.00000
H6 H 0.44844 0.44844 0.44844 1.00000
H7 H 0.55156 0.94844 0.05156 1.00000
H8 H 0.94844 0.05156 0.55156 1.00000
