K2InGeI5
Alexandria ALEXAlex-ID: agm005149618 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_210_spg36
KInI4 KI Ge
2023-01-08 00:43:05.398822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149618).
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 agm005149618
data_agm005149618
_cell_length_a 4.62137
_cell_length_b 10.62379
_cell_length_c 16.81168
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.56230
_cell_volume 805.63467
_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 0.87211 0.74422 0.80302 1.00000
K2 K 0.06928 0.13856 0.63702 1.00000
K3 K 0.12789 0.25578 0.30302 1.00000
K4 K 0.93072 0.86144 0.13702 1.00000
In1 In 0.56028 0.12055 0.94913 1.00000
In2 In 0.43972 0.87945 0.44913 1.00000
Ge1 Ge 0.75503 0.51007 0.53554 1.00000
Ge2 Ge 0.24497 0.48993 0.03554 1.00000
I1 I 0.38589 0.77178 0.98461 1.00000
I2 I 0.72113 0.44227 0.91469 1.00000
I3 I 0.49774 0.99548 0.76187 1.00000
I4 I 0.23781 0.47561 0.65595 1.00000
I5 I 0.89570 0.79140 0.58214 1.00000
I6 I 0.61411 0.22822 0.48461 1.00000
I7 I 0.27887 0.55773 0.41469 1.00000
I8 I 0.50226 0.00452 0.26187 1.00000
I9 I 0.76219 0.52439 0.15595 1.00000
I10 I 0.10430 0.20860 0.08214 1.00000
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