CePtN3
Alexandria ALEXAlex-ID: agm002291124 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_262_spg12
CePt5 CeN2 N2
2018-10-13 01:37:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002291124).
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 agm002291124
data_agm002291124
_cell_length_a 3.81791
_cell_length_b 6.19612
_cell_length_c 8.05034
_cell_angle_alpha 106.04831
_cell_angle_beta 89.96623
_cell_angle_gamma 107.96307
_cell_volume 173.34927
_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 0.87701 0.75406 0.13572 1.00000
Ce2 Ce 0.12299 0.24594 0.86428 1.00000
Pt1 Pt 0.62335 0.24653 0.23478 1.00000
Pt2 Pt 0.37665 0.75347 0.76522 1.00000
N1 N 0.33570 0.67110 0.98225 1.00000
N2 N 0.66430 0.32890 0.01775 1.00000
N3 N 0.61887 0.23685 0.46423 1.00000
N4 N 0.36730 0.73612 0.38676 1.00000
N5 N 0.38113 0.76315 0.53577 1.00000
N6 N 0.63270 0.26388 0.61324 1.00000
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