Ge4PI12
Alexandria ALEXAlex-ID: agm099640425 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_1713_spg1
GeI4 P GeI2
2025-04-22 14:50:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099640425).
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 agm099640425
data_agm099640425
_cell_length_a 8.64149
_cell_length_b 11.12727
_cell_length_c 11.84124
_cell_angle_alpha 101.71886
_cell_angle_beta 111.13649
_cell_angle_gamma 67.88099
_cell_volume 980.85537
_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 0.88194 0.85270 0.18688 1.00000
Ge2 Ge 0.75001 0.47610 0.14570 1.00000
Ge3 Ge 0.83678 0.04338 0.53104 1.00000
Ge4 Ge 0.74826 0.42290 0.52880 1.00000
P1 P 0.44886 0.77202 0.68635 1.00000
I1 I 0.60373 0.91727 0.99343 1.00000
I2 I 0.77451 0.27914 0.98190 1.00000
I3 I 0.37925 0.72229 0.46135 1.00000
I4 I 0.54396 0.26573 0.41741 1.00000
I5 I 0.69242 0.01681 0.68477 1.00000
I6 I 0.59238 0.54904 0.76252 1.00000
I7 I 0.71272 0.84592 0.34311 1.00000
I8 I 0.41041 0.57410 0.14091 1.00000
I9 I 0.15302 0.83475 0.71445 1.00000
I10 I 0.01649 0.24954 0.68107 1.00000
I11 I 0.00784 0.57821 0.13421 1.00000
I12 I 0.94741 0.35006 0.35611 1.00000
Get direct link