Ce2Pr3N4
Alexandria ALEXAlex-ID: agm005690627 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
CePrN2 Pr
2023-06-27 18:52:42.918193
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690627).
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 agm005690627
data_agm005690627
_cell_length_a 3.64761
_cell_length_b 6.39249
_cell_length_c 8.10373
_cell_angle_alpha 76.63402
_cell_angle_beta 76.99376
_cell_angle_gamma 73.42298
_cell_volume 173.61447
_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 0.60640 0.17083 0.61637 1.00000
Ce2 Ce 0.39360 0.82917 0.38363 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.20093 0.40488 0.19327 1.00000
Pr3 Pr 0.79907 0.59512 0.80673 1.00000
N1 N 0.80148 0.07964 0.31740 1.00000
N2 N 0.19852 0.92036 0.68260 1.00000
N3 N 0.40109 0.30329 0.89453 1.00000
N4 N 0.59891 0.69671 0.10547 1.00000
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