CsGe2(H3N)2
Alexandria ALEXAlex-ID: agm004574643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_565_spg12
Cs4Ge23 CsGe H3N
2022-06-23 18:42:33.397821
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004574643).
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 agm004574643
data_agm004574643
_cell_length_a 4.08837
_cell_length_b 6.87638
_cell_length_c 8.44383
_cell_angle_alpha 119.95792
_cell_angle_beta 90.01449
_cell_angle_gamma 72.67777
_cell_volume 193.15115
_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
Cs1 Cs 0.50000 0.00000 0.50000 1.00000
Ge1 Ge 0.73851 0.52273 0.93399 1.00000
Ge2 Ge 0.26149 0.47727 0.06601 1.00000
H1 H 0.32767 0.73831 0.74204 1.00000
H2 H 0.06624 0.26072 0.25701 1.00000
H3 H 0.00508 0.99181 0.83160 1.00000
H4 H 0.93376 0.73928 0.74299 1.00000
H5 H 0.99492 0.00819 0.16840 1.00000
H6 H 0.67233 0.26169 0.25796 1.00000
N1 N 0.09085 0.81844 0.72021 1.00000
N2 N 0.90915 0.18156 0.27979 1.00000
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