Ni4Te3N2
Alexandria ALEXAlex-ID: agm005238757 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_5_spg62
NiTeN Ni3N Ni3Te2
2024-10-06 04:51:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238757).
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 agm005238757
data_agm005238757
_cell_length_a 6.28283
_cell_length_b 10.54005
_cell_length_c 8.93251
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 591.52270
_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
Ni1 Ni 0.47761 0.25000 0.85156 1.00000
Ni2 Ni 0.97761 0.25000 0.64844 1.00000
Ni3 Ni 0.52239 0.75000 0.14844 1.00000
Ni4 Ni 0.02239 0.75000 0.35156 1.00000
Ni5 Ni 0.79407 0.25000 0.41674 1.00000
Ni6 Ni 0.29407 0.25000 0.08326 1.00000
Ni7 Ni 0.20593 0.75000 0.58326 1.00000
Ni8 Ni 0.70593 0.75000 0.91674 1.00000
Ni9 Ni 0.69117 0.45946 0.06469 1.00000
Ni10 Ni 0.19117 0.04054 0.43531 1.00000
Ni11 Ni 0.30883 0.95946 0.93531 1.00000
Ni12 Ni 0.80883 0.54054 0.56469 1.00000
Ni13 Ni 0.30883 0.54054 0.93531 1.00000
Ni14 Ni 0.80883 0.95946 0.56469 1.00000
Ni15 Ni 0.69117 0.04054 0.06469 1.00000
Ni16 Ni 0.19117 0.45946 0.43531 1.00000
Te1 Te 0.88519 0.25000 0.14590 1.00000
Te2 Te 0.38519 0.25000 0.35410 1.00000
Te3 Te 0.11481 0.75000 0.85410 1.00000
Te4 Te 0.61481 0.75000 0.64590 1.00000
Te5 Te 0.55575 0.56114 0.32243 1.00000
Te6 Te 0.05575 0.93886 0.17757 1.00000
Te7 Te 0.44425 0.06114 0.67757 1.00000
Te8 Te 0.94425 0.43886 0.82243 1.00000
Te9 Te 0.44425 0.43886 0.67757 1.00000
Te10 Te 0.94425 0.06114 0.82243 1.00000
Te11 Te 0.55575 0.93886 0.32243 1.00000
Te12 Te 0.05575 0.56114 0.17757 1.00000
N1 N 0.56230 0.61841 0.00690 1.00000
N2 N 0.06230 0.88159 0.49310 1.00000
N3 N 0.43770 0.11841 0.99310 1.00000
N4 N 0.93770 0.38159 0.50690 1.00000
N5 N 0.43770 0.38159 0.99310 1.00000
N6 N 0.93770 0.11841 0.50690 1.00000
N7 N 0.56230 0.88159 0.00690 1.00000
N8 N 0.06230 0.61841 0.49310 1.00000
