Nd3Th13
Alexandria ALEXAlex-ID: agm007804899 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B13_7_spg38
Th Nd
2024-05-30 07:14:30.455889
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007804899).
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 agm007804899
data_agm007804899
_cell_length_a 7.16133
_cell_length_b 7.16133
_cell_length_c 10.17733
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.23168
_cell_volume 521.93690
_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 0.00133 0.00133 0.74726 1.00000
Nd2 Nd 0.74757 0.74757 0.00000 1.00000
Nd3 Nd 0.00133 0.00133 0.25274 1.00000
Th1 Th 0.49713 0.00260 0.74779 1.00000
Th2 Th 0.49836 0.49836 0.74833 1.00000
Th3 Th 0.00260 0.49713 0.74779 1.00000
Th4 Th 0.74519 0.25659 0.00000 1.00000
Th5 Th 0.25659 0.74519 0.00000 1.00000
Th6 Th 0.25286 0.25286 0.00000 1.00000
Th7 Th 0.49713 0.00260 0.25221 1.00000
Th8 Th 0.49836 0.49836 0.25167 1.00000
Th9 Th 0.00260 0.49713 0.25221 1.00000
Th10 Th 0.74654 0.74654 0.50000 1.00000
Th11 Th 0.74619 0.25259 0.50000 1.00000
Th12 Th 0.25259 0.74619 0.50000 1.00000
Th13 Th 0.25364 0.25364 0.50000 1.00000
Get direct link