K3GeH6
Alexandria ALEXAlex-ID: agm003573293 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_356_spg36
KH7 KGeH3 KH
2022-03-29 09:44:12.506358
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003573293).
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 agm003573293
data_agm003573293
_cell_length_a 6.98611
_cell_length_b 8.23802
_cell_length_c 8.23802
_cell_angle_alpha 96.20939
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 471.33065
_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 0.49725 0.89109 0.68548 1.00000
K2 K 0.99725 0.68548 0.89109 1.00000
K3 K 0.49921 0.42177 0.57823 1.00000
K4 K 0.99921 0.57823 0.42177 1.00000
K5 K 0.99725 0.10891 0.31452 1.00000
K6 K 0.49725 0.31452 0.10891 1.00000
Ge1 Ge 0.99214 0.19156 0.80844 1.00000
Ge2 Ge 0.49214 0.80844 0.19156 1.00000
H1 H 0.24984 0.66409 0.66597 1.00000
H2 H 0.74984 0.66597 0.66409 1.00000
H3 H 0.11352 0.34443 0.88470 1.00000
H4 H 0.61352 0.88470 0.34443 1.00000
H5 H 0.02057 0.06440 0.93560 1.00000
H6 H 0.75220 0.20678 0.79322 1.00000
H7 H 0.25220 0.79322 0.20678 1.00000
H8 H 0.52057 0.93560 0.06440 1.00000
H9 H 0.11352 0.11530 0.65557 1.00000
H10 H 0.61352 0.65557 0.11530 1.00000
H11 H 0.24984 0.33403 0.33591 1.00000
H12 H 0.74984 0.33591 0.33403 1.00000
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