KLa2N7
Alexandria ALEXAlex-ID: agm005259498 · Space group: Pnnm (#58)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1885_spg58
LaN2 KN3
2024-10-14 21:14:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259498).
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 agm005259498
data_agm005259498
_cell_length_a 9.39900
_cell_length_b 7.59878
_cell_length_c 12.43704
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 888.26447
_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 0.98596 0.77520 0.50000 1.00000
K2 K 0.01404 0.22480 0.50000 1.00000
K3 K 0.48596 0.72480 0.00000 1.00000
K4 K 0.51404 0.27520 0.00000 1.00000
La1 La 0.68566 0.18435 0.72333 1.00000
La2 La 0.31434 0.81565 0.72333 1.00000
La3 La 0.18566 0.31565 0.77667 1.00000
La4 La 0.81434 0.68435 0.77667 1.00000
La5 La 0.31434 0.81565 0.27667 1.00000
La6 La 0.68566 0.18435 0.27667 1.00000
La7 La 0.81434 0.68435 0.22333 1.00000
La8 La 0.18566 0.31565 0.22333 1.00000
N1 N 0.50000 0.50000 0.75241 1.00000
N2 N 0.00000 0.00000 0.74759 1.00000
N3 N 0.50000 0.50000 0.24759 1.00000
N4 N 0.00000 0.00000 0.25241 1.00000
N5 N 0.92215 0.37984 0.68740 1.00000
N6 N 0.07785 0.62016 0.68740 1.00000
N7 N 0.42215 0.12016 0.81260 1.00000
N8 N 0.57785 0.87984 0.81260 1.00000
N9 N 0.07785 0.62016 0.31260 1.00000
N10 N 0.92215 0.37984 0.31260 1.00000
N11 N 0.57785 0.87984 0.18740 1.00000
N12 N 0.42215 0.12016 0.18740 1.00000
N13 N 0.41563 0.14039 0.71364 1.00000
N14 N 0.58437 0.85961 0.71364 1.00000
N15 N 0.91563 0.35961 0.78636 1.00000
N16 N 0.08437 0.64039 0.78636 1.00000
N17 N 0.58437 0.85961 0.28636 1.00000
N18 N 0.41563 0.14039 0.28636 1.00000
N19 N 0.08437 0.64039 0.21364 1.00000
N20 N 0.91563 0.35961 0.21364 1.00000
N21 N 0.37901 0.52551 0.80203 1.00000
N22 N 0.62099 0.47449 0.80203 1.00000
N23 N 0.87901 0.97449 0.69797 1.00000
N24 N 0.12099 0.02551 0.69797 1.00000
N25 N 0.62099 0.47449 0.19797 1.00000
N26 N 0.37901 0.52551 0.19797 1.00000
N27 N 0.12099 0.02551 0.30203 1.00000
N28 N 0.87901 0.97449 0.30203 1.00000
