Ni8Te6Br
Alexandria ALEXAlex-ID: agm072116332 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_3_spg148
Ni3Te4 NiTeBr Ni3Te2
2024-10-06 20:56:33.439596
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072116332).
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 agm072116332
data_agm072116332
_cell_length_a 6.88866
_cell_length_b 6.88866
_cell_length_c 6.88866
_cell_angle_alpha 100.87486
_cell_angle_beta 100.87486
_cell_angle_gamma 100.87486
_cell_volume 306.61521
_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 0.26557 0.26557 0.26557 1.00000
Ni2 Ni 0.73443 0.73443 0.73443 1.00000
Ni3 Ni 0.18951 0.47708 0.59247 1.00000
Ni4 Ni 0.59247 0.18951 0.47708 1.00000
Ni5 Ni 0.47708 0.59247 0.18951 1.00000
Ni6 Ni 0.81049 0.52292 0.40753 1.00000
Ni7 Ni 0.40753 0.81049 0.52292 1.00000
Ni8 Ni 0.52292 0.40753 0.81049 1.00000
Te1 Te 0.57080 0.25416 0.11964 1.00000
Te2 Te 0.11964 0.57080 0.25416 1.00000
Te3 Te 0.25416 0.11964 0.57080 1.00000
Te4 Te 0.42920 0.74584 0.88036 1.00000
Te5 Te 0.88036 0.42920 0.74584 1.00000
Te6 Te 0.74584 0.88036 0.42920 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
Get direct link