Nd3(TcN3)2
Alexandria ALEXAlex-ID: agm003348876 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_7_spg139
NdTcN2 N2 NdN
2022-02-02 18:26:00.186784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348876).
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 agm003348876
data_agm003348876
_cell_length_a 3.93224
_cell_length_b 3.93224
_cell_length_c 10.19879
_cell_angle_alpha 101.11506
_cell_angle_beta 101.11506
_cell_angle_gamma 90.00000
_cell_volume 151.72524
_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 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.81673 0.81673 0.63346 1.00000
Nd3 Nd 0.18327 0.18327 0.36654 1.00000
Tc1 Tc 0.40648 0.40647 0.81295 1.00000
Tc2 Tc 0.59352 0.59353 0.18705 1.00000
N1 N 0.08637 0.58637 0.17274 1.00000
N2 N 0.58637 0.08637 0.17274 1.00000
N3 N 0.91363 0.41363 0.82726 1.00000
N4 N 0.41363 0.91363 0.82726 1.00000
N5 N 0.69777 0.69777 0.39554 1.00000
N6 N 0.30223 0.30223 0.60446 1.00000
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