CePr3Np2N6
Alexandria ALEXAlex-ID: agm045752074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_593_spg12
CePrN2 PrNpN2
2025-02-07 11:52:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045752074).
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 agm045752074
data_agm045752074
_cell_length_a 6.16105
_cell_length_b 6.16105
_cell_length_c 6.23031
_cell_angle_alpha 80.50505
_cell_angle_beta 99.49495
_cell_angle_gamma 60.03182
_cell_volume 193.41533
_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 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.16508 0.16508 0.00000 1.00000
Pr2 Pr 0.83492 0.83492 0.00000 1.00000
Pr3 Pr 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.33316 0.33316 0.50000 1.00000
Np2 Np 0.66684 0.66684 0.50000 1.00000
N1 N 0.42132 0.92784 0.71634 1.00000
N2 N 0.27819 0.72181 0.28699 1.00000
N3 N 0.57868 0.07216 0.28366 1.00000
N4 N 0.07216 0.57868 0.71634 1.00000
N5 N 0.72181 0.27819 0.71301 1.00000
N6 N 0.92784 0.42132 0.28366 1.00000
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