LiU2TiN5
Alexandria ALEXAlex-ID: agm005149943 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
Li3UN3 LiTi5N6 LiUN2 U4N7
2023-01-09 14:01:39.156481
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149943).
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 agm005149943
data_agm005149943
_cell_length_a 3.22921
_cell_length_b 6.47506
_cell_length_c 10.01392
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.43950
_cell_volume 202.77043
_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
Li1 Li 0.52849 0.05698 0.96435 1.00000
Li2 Li 0.47151 0.94302 0.46435 1.00000
U1 U 0.85784 0.71569 0.80166 1.00000
U2 U 0.10129 0.20258 0.66791 1.00000
U3 U 0.14216 0.28431 0.30166 1.00000
U4 U 0.89871 0.79742 0.16791 1.00000
Ti1 Ti 0.80005 0.60011 0.50623 1.00000
Ti2 Ti 0.19995 0.39989 0.00623 1.00000
N1 N 0.36072 0.72144 0.00247 1.00000
N2 N 0.69317 0.38635 0.87330 1.00000
N3 N 0.48849 0.97698 0.77391 1.00000
N4 N 0.28013 0.56025 0.66011 1.00000
N5 N 0.94966 0.89932 0.57405 1.00000
N6 N 0.63928 0.27856 0.50247 1.00000
N7 N 0.30683 0.61365 0.37330 1.00000
N8 N 0.51151 0.02302 0.27391 1.00000
N9 N 0.71987 0.43975 0.16011 1.00000
N10 N 0.05034 0.10068 0.07405 1.00000
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