KLaMoN3
Alexandria ALEXAlex-ID: agm005030697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_402_spg12
La3(MoN3)2 La3MoN5 K15Mo7N19 K
2022-07-08 21:03:48.537980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005030697).
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 agm005030697
data_agm005030697
_cell_length_a 3.95570
_cell_length_b 7.34203
_cell_length_c 8.02657
_cell_angle_alpha 104.87262
_cell_angle_beta 90.00000
_cell_angle_gamma 105.62780
_cell_volume 216.37627
_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 0.36032 0.72064 0.93186 1.00000
K2 K 0.63968 0.27936 0.06814 1.00000
La1 La 0.66384 0.32767 0.60277 1.00000
La2 La 0.33616 0.67233 0.39723 1.00000
Mo1 Mo 0.00912 0.01824 0.32316 1.00000
Mo2 Mo 0.99088 0.98176 0.67684 1.00000
N1 N 0.87206 0.74412 0.20803 1.00000
N2 N 0.84632 0.69265 0.64413 1.00000
N3 N 0.51258 0.02516 0.34616 1.00000
N4 N 0.15368 0.30735 0.35587 1.00000
N5 N 0.48742 0.97484 0.65384 1.00000
N6 N 0.12794 0.25588 0.79197 1.00000
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