NiTe3Rh
Alexandria ALEXAlex-ID: agm003708142 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6276_spg15
Ni3Te4 Ni3Te2 Te2Rh
2022-04-30 22:47:35.947149
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003708142).
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 agm003708142
data_agm003708142
_cell_length_a 6.52520
_cell_length_b 8.59119
_cell_length_c 8.59119
_cell_angle_alpha 83.08804
_cell_angle_beta 75.45875
_cell_angle_gamma 75.45875
_cell_volume 450.41013
_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 0.25000 0.90540 0.09460 1.00000
Ni2 Ni 0.75000 0.09460 0.90540 1.00000
Ni3 Ni 0.25000 0.41269 0.58731 1.00000
Ni4 Ni 0.75000 0.58731 0.41269 1.00000
Te1 Te 0.64436 0.81799 0.91835 1.00000
Te2 Te 0.85564 0.08165 0.18201 1.00000
Te3 Te 0.35564 0.18201 0.08165 1.00000
Te4 Te 0.14436 0.91835 0.81799 1.00000
Te5 Te 0.92682 0.35011 0.84836 1.00000
Te6 Te 0.57318 0.15164 0.64989 1.00000
Te7 Te 0.07318 0.64989 0.15164 1.00000
Te8 Te 0.42682 0.84836 0.35011 1.00000
Te9 Te 0.48786 0.54546 0.71216 1.00000
Te10 Te 0.01214 0.28784 0.45454 1.00000
Te11 Te 0.51214 0.45454 0.28784 1.00000
Te12 Te 0.98786 0.71216 0.54546 1.00000
Rh1 Rh 0.04662 0.62883 0.84926 1.00000
Rh2 Rh 0.45338 0.15074 0.37117 1.00000
Rh3 Rh 0.95338 0.37117 0.15074 1.00000
Rh4 Rh 0.54662 0.84926 0.62883 1.00000
