GeCl4
Alexandria ALEXAlex-ID: agm070943266 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_2287_spg1
GeCl4
2024-12-10 00:33:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070943266).
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 agm070943266
data_agm070943266
_cell_length_a 6.75196
_cell_length_b 10.81672
_cell_length_c 11.20216
_cell_angle_alpha 108.66631
_cell_angle_beta 92.79485
_cell_angle_gamma 87.81981
_cell_volume 773.96391
_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 0.55899 0.49948 0.98992 1.00000
Ge2 Ge 0.42761 0.00104 0.55544 1.00000
Ge3 Ge 0.01350 0.49883 0.45499 1.00000
Cl1 Cl 0.72410 0.04617 0.52811 1.00000
Cl2 Cl 0.43105 0.89350 0.68518 1.00000
Cl3 Cl 0.87989 0.67328 0.43424 1.00000
Cl4 Cl 0.16641 0.54364 0.63479 1.00000
Cl5 Cl 0.63997 0.69039 0.10696 1.00000
Cl6 Cl 0.68428 0.46114 0.80976 1.00000
Cl7 Cl 0.24348 0.49041 0.96726 1.00000
Cl8 Cl 0.66911 0.35789 0.07391 1.00000
Cl9 Cl 0.21759 0.41675 0.30948 1.00000
Cl10 Cl 0.78713 0.36255 0.44470 1.00000
Cl11 Cl 0.29889 0.88700 0.37800 1.00000
Cl12 Cl 0.25803 0.17793 0.62726 1.00000
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