Ce3SmY2N6
Alexandria ALEXAlex-ID: agm040548627 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CeSmN2 CeY5N6 CeN
2024-11-08 02:05:12.702762
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040548627).
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
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# CIF generated by HEAS from Alexandria entry agm040548627
data_agm040548627
_cell_length_a 7.91644
_cell_length_b 7.91644
_cell_length_c 7.08490
_cell_angle_alpha 77.13017
_cell_angle_beta 77.13017
_cell_angle_gamma 25.85212
_cell_volume 188.48762
_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 0.50000 1.00000
Ce2 Ce 0.16719 0.16719 0.16738 1.00000
Ce3 Ce 0.83281 0.83281 0.83262 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.16730 0.16730 0.66561 1.00000
Y2 Y 0.83270 0.83270 0.33439 1.00000
N1 N 0.66963 0.66963 0.91406 1.00000
N2 N 0.33282 0.33282 0.58342 1.00000
N3 N 0.33037 0.33037 0.08594 1.00000
N4 N 0.99924 0.99924 0.25734 1.00000
N5 N 0.00076 0.00076 0.74266 1.00000
N6 N 0.66718 0.66718 0.41658 1.00000
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