CsKGeI4
Alexandria ALEXAlex-ID: agm005048842 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_635_spg11
CsGeI3 KI
2022-07-15 12:18:49.559616
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005048842).
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 agm005048842
data_agm005048842
_cell_length_a 7.09337
_cell_length_b 8.23636
_cell_length_c 12.17475
_cell_angle_alpha 90.00000
_cell_angle_beta 108.36198
_cell_angle_gamma 90.00000
_cell_volume 675.07620
_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
Cs1 Cs 0.72446 0.75000 0.92217 1.00000
Cs2 Cs 0.27554 0.25000 0.07783 1.00000
K1 K 0.82135 0.75000 0.48212 1.00000
K2 K 0.17865 0.25000 0.51788 1.00000
Ge1 Ge 0.26909 0.75000 0.30527 1.00000
Ge2 Ge 0.73091 0.25000 0.69473 1.00000
I1 I 0.00836 0.49190 0.73339 1.00000
I2 I 0.99164 0.99190 0.26661 1.00000
I3 I 0.99164 0.50810 0.26661 1.00000
I4 I 0.00836 0.00810 0.73339 1.00000
I5 I 0.30519 0.75000 0.06818 1.00000
I6 I 0.69481 0.25000 0.93182 1.00000
I7 I 0.37827 0.75000 0.57310 1.00000
I8 I 0.62173 0.25000 0.42690 1.00000
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