Tb2NdN3
Alexandria ALEXAlex-ID: agm005659375 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_935_spg12
NdN TbN
2023-08-23 21:30:54.449735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659375).
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 agm005659375
data_agm005659375
_cell_length_a 6.15055
_cell_length_b 6.15055
_cell_length_c 6.15035
_cell_angle_alpha 99.58836
_cell_angle_beta 99.58836
_cell_angle_gamma 120.00084
_cell_volume 189.98051
_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
Tb1 Tb 0.83334 0.16666 0.50000 1.00000
Tb2 Tb 0.33334 0.66666 1.00000 1.00000
Tb3 Tb 0.16795 0.83205 0.50000 1.00000
Tb4 Tb 0.49873 0.50127 0.50000 1.00000
Nd1 Nd 0.00018 0.99982 0.00000 1.00000
Nd2 Nd 0.66649 0.33351 1.00000 1.00000
N1 N 0.57500 0.90833 0.74358 1.00000
N2 N 0.09166 0.42500 0.25642 1.00000
N3 N 0.92091 0.58130 0.74387 1.00000
N4 N 0.24796 0.25425 0.74386 1.00000
N5 N 0.41870 0.07909 0.25614 1.00000
N6 N 0.74575 0.75204 0.25614 1.00000
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