K2LiSnI5
Alexandria ALEXAlex-ID: agm005155582 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_198_spg36
K6SnI8 LiI SnI2
2023-01-09 13:31:05.826540
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155582).
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 agm005155582
data_agm005155582
_cell_length_a 4.85582
_cell_length_b 10.35756
_cell_length_c 15.75269
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.55682
_cell_volume 770.19911
_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 0.84500 0.69000 0.82118 1.00000
K2 K 0.09826 0.19652 0.67419 1.00000
K3 K 0.15500 0.31000 0.32118 1.00000
K4 K 0.90174 0.80348 0.17419 1.00000
Li1 Li 0.76758 0.53516 0.57197 1.00000
Li2 Li 0.23242 0.46484 0.07197 1.00000
Sn1 Sn 0.53816 0.07632 0.93753 1.00000
Sn2 Sn 0.46184 0.92368 0.43753 1.00000
I1 I 0.36180 0.72361 0.99995 1.00000
I2 I 0.66550 0.33100 0.84703 1.00000
I3 I 0.47439 0.94879 0.75806 1.00000
I4 I 0.27254 0.54508 0.66332 1.00000
I5 I 0.91958 0.83916 0.55075 1.00000
I6 I 0.63820 0.27639 0.49995 1.00000
I7 I 0.33450 0.66900 0.34703 1.00000
I8 I 0.52561 0.05121 0.25806 1.00000
I9 I 0.72746 0.45492 0.16332 1.00000
I10 I 0.08042 0.16084 0.05075 1.00000
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