Ce12Ir6N
Alexandria ALEXAlex-ID: agm003692011 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_37_spg148
Ce5Ir3 Ce7Ir3 CeN
2022-04-13 04:52:10.931444
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003692011).
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 agm003692011
data_agm003692011
_cell_length_a 8.06033
_cell_length_b 8.06033
_cell_length_c 8.06033
_cell_angle_alpha 98.22497
_cell_angle_beta 98.22497
_cell_angle_gamma 98.22497
_cell_volume 505.75488
_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 0.81905 0.58653 0.41517 1.00000
Ce2 Ce 0.41517 0.81905 0.58653 1.00000
Ce3 Ce 0.58653 0.41517 0.81905 1.00000
Ce4 Ce 0.18095 0.41347 0.58483 1.00000
Ce5 Ce 0.58483 0.18095 0.41347 1.00000
Ce6 Ce 0.41347 0.58483 0.18095 1.00000
Ce7 Ce 0.07715 0.96481 0.30118 1.00000
Ce8 Ce 0.03519 0.69882 0.92285 1.00000
Ce9 Ce 0.69882 0.92285 0.03519 1.00000
Ce10 Ce 0.92285 0.03519 0.69882 1.00000
Ce11 Ce 0.96481 0.30118 0.07715 1.00000
Ce12 Ce 0.30118 0.07715 0.96481 1.00000
Ir1 Ir 0.69582 0.87421 0.37968 1.00000
Ir2 Ir 0.62032 0.30418 0.12579 1.00000
Ir3 Ir 0.12579 0.62032 0.30418 1.00000
Ir4 Ir 0.30418 0.12579 0.62032 1.00000
Ir5 Ir 0.37968 0.69582 0.87421 1.00000
Ir6 Ir 0.87421 0.37968 0.69582 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
Get direct link