CeNd2(PN3)2
Alexandria ALEXAlex-ID: agm030474645 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_20_spg166
CeNd2(PN3)2
2025-03-12 02:29:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030474645).
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 agm030474645
data_agm030474645
_cell_length_a 5.70864
_cell_length_b 5.70864
_cell_length_c 6.53540
_cell_angle_alpha 62.39484
_cell_angle_beta 117.60516
_cell_angle_gamma 119.84165
_cell_volume 156.02025
_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 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.71901 0.28099 0.18350 1.00000
Nd2 Nd 0.28099 0.71901 0.81650 1.00000
P1 P 0.96847 0.03153 0.81400 1.00000
P2 P 0.03153 0.96847 0.18600 1.00000
N1 N 0.77531 0.22469 0.62791 1.00000
N2 N 0.17183 0.29816 0.19156 1.00000
N3 N 0.29816 0.17183 0.80844 1.00000
N4 N 0.82817 0.70184 0.80844 1.00000
N5 N 0.70184 0.82817 0.19156 1.00000
N6 N 0.22469 0.77531 0.37209 1.00000
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