Nd3Th4N8
Alexandria ALEXAlex-ID: agm003385147 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_5_spg12
Nd3ThN4 Th3N4
2022-03-13 10:07:45.459318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003385147).
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 agm003385147
data_agm003385147
_cell_length_a 7.32141
_cell_length_b 7.27428
_cell_length_c 7.27428
_cell_angle_alpha 90.61154
_cell_angle_beta 119.57749
_cell_angle_gamma 119.57749
_cell_volume 275.96364
_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
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 0.00000 0.50000 0.00000 1.00000
Th3 Th 0.00000 0.00000 0.00000 1.00000
Th4 Th 0.00000 0.00000 0.50000 1.00000
N1 N 0.46091 0.22089 0.22089 1.00000
N2 N 0.00000 0.76649 0.23351 1.00000
N3 N 0.98852 0.23005 0.23005 1.00000
N4 N 0.50000 0.75184 0.24816 1.00000
N5 N 0.50000 0.24816 0.75184 1.00000
N6 N 0.01148 0.76995 0.76995 1.00000
N7 N 0.00000 0.23351 0.76649 1.00000
N8 N 0.53909 0.77911 0.77911 1.00000
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