Ce2YInN5
Alexandria ALEXAlex-ID: agm005152882 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
CeN2 YN In
2023-01-17 02:39:25.673086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152882).
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 agm005152882
data_agm005152882
_cell_length_a 3.54896
_cell_length_b 7.17220
_cell_length_c 11.41507
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.32434
_cell_volume 281.52403
_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 0.87200 0.74400 0.74223 1.00000
Ce2 Ce 0.13228 0.26457 0.70797 1.00000
Ce3 Ce 0.12800 0.25600 0.24223 1.00000
Ce4 Ce 0.86772 0.73543 0.20797 1.00000
Y1 Y 0.76745 0.53491 0.48645 1.00000
Y2 Y 0.23255 0.46509 0.98645 1.00000
In1 In 0.50667 0.01334 0.98047 1.00000
In2 In 0.49333 0.98666 0.48047 1.00000
N1 N 0.37464 0.74928 0.08373 1.00000
N2 N 0.72461 0.44922 0.84138 1.00000
N3 N 0.47711 0.95423 0.79264 1.00000
N4 N 0.28478 0.56956 0.64205 1.00000
N5 N 0.92743 0.85485 0.54705 1.00000
N6 N 0.62536 0.25072 0.58373 1.00000
N7 N 0.27539 0.55078 0.34138 1.00000
N8 N 0.52289 0.04577 0.29264 1.00000
N9 N 0.71522 0.43044 0.14205 1.00000
N10 N 0.07257 0.14515 0.04705 1.00000
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