K4MnI8
Alexandria ALEXAlex-ID: agm097864594 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1733_spg38
KI3 K2MnI4 KI
2025-06-16 04:45:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097864594).
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 agm097864594
data_agm097864594
_cell_length_a 4.63753
_cell_length_b 12.40583
_cell_length_c 11.99256
_cell_angle_alpha 65.12884
_cell_angle_beta 90.03397
_cell_angle_gamma 89.96790
_cell_volume 625.97011
_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 0.96249 0.85548 0.20591 1.00000
K2 K 0.95913 0.49360 0.12436 1.00000
K3 K 0.96045 0.48931 0.54125 1.00000
K4 K 0.96155 0.09182 0.44476 1.00000
Mn1 Mn 0.46513 0.02889 0.79878 1.00000
I1 I 0.46349 0.05845 0.00226 1.00000
I2 I 0.46066 0.60772 0.27982 1.00000
I3 I 0.45934 0.64152 0.67090 1.00000
I4 I 0.46352 0.23455 0.59294 1.00000
I5 I 0.46225 0.88316 0.42105 1.00000
I6 I 0.45935 0.26174 0.21602 1.00000
I7 I 0.45748 0.44819 0.91351 1.00000
I8 I 0.96515 0.90559 0.78844 1.00000
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