K9In9GeSb22
Alexandria ALEXAlex-ID: agm003248352 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB9C9D22_0_spg1
K9In9GeSb22
2022-01-03 16:48:08.417986
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003248352).
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 agm003248352
data_agm003248352
_cell_length_a 11.51728
_cell_length_b 11.87217
_cell_length_c 13.30077
_cell_angle_alpha 112.50377
_cell_angle_beta 113.31130
_cell_angle_gamma 91.73749
_cell_volume 1507.20697
_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 0.13204 0.15417 0.61462 1.00000
K2 K 0.87129 0.85477 0.38766 1.00000
K3 K 0.43597 0.49231 0.63796 1.00000
K4 K 0.55391 0.50098 0.36021 1.00000
K5 K 0.54340 0.49997 0.00570 1.00000
K6 K 0.87096 0.83363 0.73980 1.00000
K7 K 0.12605 0.17330 0.26352 1.00000
K8 K 0.12397 0.18824 0.94252 1.00000
K9 K 0.87730 0.81859 0.05744 1.00000
In1 In 0.23755 0.74239 0.83307 1.00000
In2 In 0.75767 0.25880 0.16707 1.00000
In3 In 0.25053 0.74588 0.47201 1.00000
In4 In 0.74857 0.25859 0.53296 1.00000
In5 In 0.75439 0.21844 0.82666 1.00000
In6 In 0.24369 0.78257 0.17108 1.00000
In7 In 0.57476 0.92895 0.83603 1.00000
In8 In 0.42627 0.06898 0.16438 1.00000
In9 In 0.59274 0.91469 0.49936 1.00000
Ge1 Ge 0.42379 0.06575 0.49700 1.00000
Sb1 Sb 0.51377 0.75243 0.91941 1.00000
Sb2 Sb 0.48068 0.24618 0.07542 1.00000
Sb3 Sb 0.38389 0.08046 0.82249 1.00000
Sb4 Sb 0.61388 0.91294 0.17157 1.00000
Sb5 Sb 0.12045 0.80905 0.62929 1.00000
Sb6 Sb 0.87387 0.19479 0.37202 1.00000
Sb7 Sb 0.51107 0.75173 0.24606 1.00000
Sb8 Sb 0.48011 0.22951 0.72994 1.00000
Sb9 Sb 0.07768 0.41874 0.52147 1.00000
Sb10 Sb 0.91430 0.58638 0.48180 1.00000
Sb11 Sb 0.12242 0.48491 0.76898 1.00000
Sb12 Sb 0.87305 0.51847 0.23581 1.00000
Sb13 Sb 0.52432 0.75545 0.59356 1.00000
Sb14 Sb 0.46968 0.22913 0.41188 1.00000
Sb15 Sb 0.83705 0.08949 0.64238 1.00000
Sb16 Sb 0.18096 0.92387 0.36825 1.00000
Sb17 Sb 0.86303 0.51387 0.72712 1.00000
Sb18 Sb 0.13165 0.49292 0.27475 1.00000
Sb19 Sb 0.82575 0.09492 0.98478 1.00000
Sb20 Sb 0.17216 0.90943 0.01609 1.00000
Sb21 Sb 0.85517 0.48727 0.93335 1.00000
Sb22 Sb 0.13020 0.51705 0.06451 1.00000
