In2GeCl4
Alexandria ALEXAlex-ID: agm096189901 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_153_spg166
InCl2 Ge
2025-04-10 16:05:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096189901).
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 agm096189901
data_agm096189901
_cell_length_a 4.37698
_cell_length_b 6.09507
_cell_length_c 9.24796
_cell_angle_alpha 90.27450
_cell_angle_beta 90.04288
_cell_angle_gamma 106.36679
_cell_volume 236.71665
_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
In1 In 0.94766 0.75399 0.13603 1.00000
In2 In 0.94541 0.75042 0.57941 1.00000
Ge1 Ge 0.34203 0.22522 0.85685 1.00000
Cl1 Cl 0.42416 0.62831 0.85712 1.00000
Cl2 Cl 0.43369 0.66938 0.35687 1.00000
Cl3 Cl 0.70270 0.23478 0.65917 1.00000
Cl4 Cl 0.70437 0.23790 0.05455 1.00000
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