CdGeH6
Alexandria ALEXAlex-ID: agm075986448 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_46_spg2
GeH8 Ge CdH4
2025-06-26 00:43:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075986448).
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
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# CIF generated by HEAS from Alexandria entry agm075986448
data_agm075986448
_cell_length_a 5.10936
_cell_length_b 5.13278
_cell_length_c 5.13583
_cell_angle_alpha 71.71763
_cell_angle_beta 71.55986
_cell_angle_gamma 71.41119
_cell_volume 117.66440
_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
Cd1 Cd 0.97362 0.84969 0.60102 1.00000
Ge1 Ge 0.56549 0.44015 0.18884 1.00000
H1 H 0.47129 0.34650 0.51260 1.00000
H2 H 0.89160 0.34557 0.09603 1.00000
H3 H 0.12297 0.99839 0.74945 1.00000
H4 H 0.42986 0.30605 0.05282 1.00000
H5 H 0.82383 0.69910 0.45185 1.00000
H6 H 0.47134 0.76456 0.09739 1.00000
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