KInGeI4
Alexandria ALEXAlex-ID: agm005048841 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_567_spg11
KInI4 Ge
2022-07-15 12:07:18.966628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005048841).
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 agm005048841
data_agm005048841
_cell_length_a 8.63160
_cell_length_b 8.14892
_cell_length_c 10.09699
_cell_angle_alpha 90.00000
_cell_angle_beta 113.64682
_cell_angle_gamma 90.00000
_cell_volume 650.57178
_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
K1 K 0.76152 0.75000 0.44473 1.00000
K2 K 0.23848 0.25000 0.55527 1.00000
In1 In 0.69986 0.75000 0.96037 1.00000
In2 In 0.30014 0.25000 0.03963 1.00000
Ge1 Ge 0.20579 0.75000 0.28316 1.00000
Ge2 Ge 0.79421 0.25000 0.71684 1.00000
I1 I 0.02682 0.50031 0.74818 1.00000
I2 I 0.97318 0.00031 0.25182 1.00000
I3 I 0.97318 0.49969 0.25182 1.00000
I4 I 0.02682 0.99969 0.74818 1.00000
I5 I 0.43868 0.75000 0.09983 1.00000
I6 I 0.56132 0.25000 0.90017 1.00000
I7 I 0.41223 0.75000 0.57919 1.00000
I8 I 0.58777 0.25000 0.42081 1.00000
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