K3LaU2N6
Alexandria ALEXAlex-ID: agm035666641 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_376_spg12
K3LaU2N6
2024-09-05 02:39:19.356667
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035666641).
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 agm035666641
data_agm035666641
_cell_length_a 8.42691
_cell_length_b 8.42691
_cell_length_c 7.65908
_cell_angle_alpha 72.15383
_cell_angle_beta 72.15383
_cell_angle_gamma 24.95901
_cell_volume 217.90816
_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 0.50000 0.50000 0.50000 1.00000
K2 K 0.16689 0.16689 0.17012 1.00000
K3 K 0.83311 0.83311 0.82988 1.00000
La1 La 0.50000 0.50000 0.00000 1.00000
U1 U 0.16968 0.16968 0.66622 1.00000
U2 U 0.83032 0.83032 0.33378 1.00000
N1 N 0.66106 0.66106 0.84502 1.00000
N2 N 0.30682 0.30682 0.54006 1.00000
N3 N 0.33894 0.33894 0.15498 1.00000
N4 N 0.96100 0.96100 0.24399 1.00000
N5 N 0.03900 0.03900 0.75601 1.00000
N6 N 0.69318 0.69318 0.45994 1.00000
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