LiCrCoN
Alexandria ALEXAlex-ID: agm002094591 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1128_spg160
Li6CrN4 Cr2N Co Cr
2021-11-11 00:10:03.022312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002094591).
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 agm002094591
data_agm002094591
_cell_length_a 2.72572
_cell_length_b 2.72572
_cell_length_c 19.93138
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 128.24181
_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 0.00000 0.00000 0.49679 1.00000
Li2 Li 0.33333 0.66667 0.16346 1.00000
Li3 Li 0.66667 0.33333 0.83012 1.00000
Cr1 Cr 0.00000 0.00000 0.04786 1.00000
Cr2 Cr 0.33333 0.66667 0.71453 1.00000
Cr3 Cr 0.66667 0.33333 0.38119 1.00000
Co1 Co 0.00000 0.00000 0.28165 1.00000
Co2 Co 0.33333 0.66667 0.94832 1.00000
Co3 Co 0.66667 0.33333 0.61498 1.00000
N1 N 0.00000 0.00000 0.76757 1.00000
N2 N 0.33333 0.66667 0.43423 1.00000
N3 N 0.66667 0.33333 0.10090 1.00000
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