Ge3I5
Alexandria ALEXAlex-ID: agm101048602 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_1907_spg1
GeI2 Ge
2025-04-06 19:50:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101048602).
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 agm101048602
data_agm101048602
_cell_length_a 8.07062
_cell_length_b 6.65058
_cell_length_c 16.25308
_cell_angle_alpha 94.13222
_cell_angle_beta 82.59519
_cell_angle_gamma 117.74854
_cell_volume 765.53867
_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 0.74616 0.23664 0.36249 1.00000
Ge2 Ge 0.29947 0.78114 0.85959 1.00000
Ge3 Ge 0.44411 0.68576 0.62841 1.00000
Ge4 Ge 0.80346 0.37184 0.15610 1.00000
Ge5 Ge 0.87877 0.11229 0.92356 1.00000
Ge6 Ge 0.72235 0.93379 0.52048 1.00000
I1 I 0.57921 0.18383 0.98509 1.00000
I2 I 0.37116 0.75791 0.46758 1.00000
I3 I 0.14616 0.44847 0.02082 1.00000
I4 I 0.74832 0.52363 0.51248 1.00000
I5 I 0.35989 0.02323 0.70976 1.00000
I6 I 0.58605 0.68011 0.80808 1.00000
I7 I 0.00164 0.38716 0.78557 1.00000
I8 I 0.76529 0.96265 0.19847 1.00000
I9 I 0.48917 0.30925 0.28436 1.00000
I10 I 0.05879 0.60229 0.27717 1.00000
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