K4Sb3N4
Alexandria ALEXAlex-ID: agm005705757 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_231_spg12
KSb2 KSb KN3
2023-07-02 05:53:35.653449
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705757).
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 agm005705757
data_agm005705757
_cell_length_a 6.24993
_cell_length_b 5.94890
_cell_length_c 13.34283
_cell_angle_alpha 120.37069
_cell_angle_beta 103.54469
_cell_angle_gamma 90.00007
_cell_volume 411.94073
_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 0.84143 0.14473 0.68287 1.00000
K2 K 0.15857 0.85527 0.31713 1.00000
K3 K 0.54700 0.85859 0.09399 1.00000
K4 K 0.45300 0.14141 0.90601 1.00000
Sb1 Sb 0.93616 0.84535 0.87232 1.00000
Sb2 Sb 0.06384 0.15465 0.12768 1.00000
Sb3 Sb 0.00000 0.50000 0.00000 1.00000
N1 N 0.71848 0.99843 0.43697 1.00000
N2 N 0.33069 0.05240 0.66137 1.00000
N3 N 0.28152 0.00157 0.56303 1.00000
N4 N 0.66931 0.94760 0.33863 1.00000
Get direct link