GeH6C
Alexandria ALEXAlex-ID: agm079443695 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_115_spg12
H4C Ge GeH8
2025-06-27 10:12:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079443695).
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 agm079443695
data_agm079443695
_cell_length_a 4.76934
_cell_length_b 4.69930
_cell_length_c 7.94579
_cell_angle_alpha 91.04442
_cell_angle_beta 140.19626
_cell_angle_gamma 104.52143
_cell_volume 103.77636
_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
Ge1 Ge 0.83460 0.98181 0.85929 1.00000
H1 H 0.66471 0.47555 0.21994 1.00000
H2 H 0.67538 0.25215 0.41202 1.00000
H3 H 0.97949 0.66255 0.55311 1.00000
H4 H 0.03852 0.72809 0.00131 1.00000
H5 H 0.18493 0.41459 0.51644 1.00000
H6 H 0.74614 0.03322 0.01390 1.00000
C1 C 0.87622 0.45204 0.42398 1.00000
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