CePm3N5
Alexandria ALEXAlex-ID: agm072553575 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_865_spg8
CeN2 PmN
2024-09-24 16:25:21.586627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072553575).
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 agm072553575
data_agm072553575
_cell_length_a 3.74017
_cell_length_b 6.24376
_cell_length_c 6.30434
_cell_angle_alpha 101.36751
_cell_angle_beta 93.32330
_cell_angle_gamma 102.32723
_cell_volume 140.23610
_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 0.74574 0.83910 0.28067 1.00000
Pm1 Pm 0.47775 0.33714 0.54505 1.00000
Pm2 Pm 0.25831 0.84836 0.77263 1.00000
Pm3 Pm 0.95831 0.32501 0.05194 1.00000
N1 N 0.09288 0.59570 0.40699 1.00000
N2 N 0.46679 0.51464 0.93882 1.00000
N3 N 0.34521 0.07184 0.18288 1.00000
N4 N 0.86242 0.08150 0.63500 1.00000
N5 N 0.75308 0.65777 0.89535 1.00000
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