Ge3SbCl9
Alexandria ALEXAlex-ID: agm005994446 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_189_spg9
SbCl3 GeCl2
2023-08-09 16:28:13.253708
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994446).
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 agm005994446
data_agm005994446
_cell_length_a 10.22525
_cell_length_b 9.36778
_cell_length_c 12.68588
_cell_angle_alpha 78.51838
_cell_angle_beta 66.23293
_cell_angle_gamma 56.92279
_cell_volume 931.52055
_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 0.77946 0.47152 0.70408 1.00000
Ge2 Ge 0.04495 0.97152 0.20408 1.00000
Ge3 Ge 0.83749 0.00329 0.86423 1.00000
Ge4 Ge 0.29498 0.50329 0.36423 1.00000
Ge5 Ge 0.54136 0.29723 0.67024 1.00000
Ge6 Ge 0.49117 0.79723 0.17024 1.00000
Sb1 Sb 0.11983 0.48662 0.01139 1.00000
Sb2 Sb 0.38215 0.98662 0.51139 1.00000
Cl1 Cl 0.36955 0.25357 0.29632 1.00000
Cl2 Cl 0.08056 0.75357 0.79632 1.00000
Cl3 Cl 0.41301 0.35749 0.97778 1.00000
Cl4 Cl 0.25172 0.85749 0.47778 1.00000
Cl5 Cl 0.96849 0.17372 0.75592 1.00000
Cl6 Cl 0.10187 0.67372 0.25592 1.00000
Cl7 Cl 0.72959 0.71259 0.00956 1.00000
Cl8 Cl 0.54827 0.21259 0.50956 1.00000
Cl9 Cl 0.64744 0.81054 0.36919 1.00000
Cl10 Cl 0.17283 0.31054 0.86919 1.00000
Cl11 Cl 0.45433 0.81915 0.67192 1.00000
Cl12 Cl 0.05460 0.31915 0.17192 1.00000
Cl13 Cl 0.54233 0.50903 0.20721 1.00000
Cl14 Cl 0.74143 0.00903 0.70721 1.00000
Cl15 Cl 0.76636 0.35965 0.55226 1.00000
Cl16 Cl 0.32173 0.85965 0.05226 1.00000
Cl17 Cl 0.91337 0.00310 0.08775 1.00000
Cl18 Cl 0.99578 0.50310 0.58775 1.00000
