Li4MoN3
Alexandria ALEXAlex-ID: agm006100713 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_81_spg9
MoN Li6MoN4
2023-09-28 22:04:02.749451
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006100713).
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 agm006100713
data_agm006100713
_cell_length_a 5.51938
_cell_length_b 5.78000
_cell_length_c 7.22343
_cell_angle_alpha 108.58759
_cell_angle_beta 90.00229
_cell_angle_gamma 118.51794
_cell_volume 188.68669
_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
Mo1 Mo 0.60227 0.95723 0.74542 1.00000
Mo2 Mo 0.35496 0.95722 0.24544 1.00000
N1 N 0.64583 0.31679 0.85659 1.00000
N2 N 0.67097 0.31680 0.35659 1.00000
N3 N 0.27924 0.62011 0.61893 1.00000
N4 N 0.34087 0.62011 0.11892 1.00000
N5 N 0.88286 0.89036 0.79690 1.00000
N6 N 0.00750 0.89036 0.29690 1.00000
Li1 Li 0.26229 0.23396 0.93629 1.00000
Li2 Li 0.97168 0.23397 0.43629 1.00000
Li3 Li 0.54010 0.42829 0.63680 1.00000
Li4 Li 0.88819 0.42829 0.13680 1.00000
Li5 Li 0.04454 0.60303 0.83202 1.00000
Li6 Li 0.55849 0.60302 0.33202 1.00000
Li7 Li 0.00825 0.72997 0.52689 1.00000
Li8 Li 0.72172 0.72997 0.02689 1.00000
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