KSeN
Alexandria ALEXAlex-ID: agm005602709 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10993_spg8
KSeN
2023-06-18 02:18:53.359185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602709).
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
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# CIF generated by HEAS from Alexandria entry agm005602709
data_agm005602709
_cell_length_a 4.22375
_cell_length_b 7.80438
_cell_length_c 8.06403
_cell_angle_alpha 65.52719
_cell_angle_beta 74.81771
_cell_angle_gamma 74.29975
_cell_volume 229.48325
_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 0.41238 0.88624 0.46523 1.00000
K2 K 0.26290 0.45251 0.19792 1.00000
Se1 Se 0.99213 0.49094 0.70105 1.00000
Se2 Se 0.80461 0.71025 0.85678 1.00000
N1 N 0.85110 0.16782 0.30622 1.00000
N2 N 0.05119 0.60508 0.46879 1.00000
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