Ce3Mn2CrN6
Alexandria ALEXAlex-ID: agm039627751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Ce3(CrN3)2 Ce2MnN3 Ce3Mn10N11 Ce3Cr10N11
2024-10-22 14:04:10.592892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039627751).
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 agm039627751
data_agm039627751
_cell_length_a 7.06606
_cell_length_b 7.06606
_cell_length_c 6.26758
_cell_angle_alpha 81.28244
_cell_angle_beta 81.28244
_cell_angle_gamma 26.78528
_cell_volume 139.30171
_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
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.16794 0.16794 0.67162 1.00000
Ce3 Ce 0.83206 0.83206 0.32838 1.00000
Mn1 Mn 0.16544 0.16544 0.16916 1.00000
Mn2 Mn 0.83456 0.83456 0.83084 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
N1 N 0.65538 0.65538 0.39127 1.00000
N2 N 0.32175 0.32175 0.05100 1.00000
N3 N 0.34462 0.34462 0.60873 1.00000
N4 N 0.98931 0.98931 0.72211 1.00000
N5 N 0.01069 0.01069 0.27789 1.00000
N6 N 0.67825 0.67825 0.94900 1.00000
Get direct link