Cr8Cu3NiTe16
Alexandria ALEXAlex-ID: agm021001369 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8D16_0_spg160
Cr2Te3 Ni3Te4 Cr2CuTe4 Ni3Te2
2024-10-12 11:59:39.376763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021001369).
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 agm021001369
data_agm021001369
_cell_length_a 13.69877
_cell_length_b 13.69877
_cell_length_c 13.69877
_cell_angle_alpha 33.49475
_cell_angle_beta 33.49475
_cell_angle_gamma 33.49475
_cell_volume 697.27097
_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
Cr1 Cr 0.75084 0.75084 0.75084 1.00000
Cr2 Cr 0.24962 0.24962 0.24962 1.00000
Cr3 Cr 0.99898 0.99898 0.50032 1.00000
Cr4 Cr 0.49998 0.49998 0.00136 1.00000
Cr5 Cr 0.49998 0.00136 0.49998 1.00000
Cr6 Cr 0.99898 0.50032 0.99898 1.00000
Cr7 Cr 0.50032 0.99898 0.99898 1.00000
Cr8 Cr 0.00136 0.49998 0.49998 1.00000
Cu1 Cu 0.93737 0.93737 0.93737 1.00000
Cu2 Cu 0.06246 0.06246 0.06246 1.00000
Cu3 Cu 0.56265 0.56265 0.56265 1.00000
Ni1 Ni 0.43749 0.43749 0.43749 1.00000
Te1 Te 0.37331 0.37331 0.37331 1.00000
Te2 Te 0.87106 0.87106 0.87106 1.00000
Te3 Te 0.63054 0.63054 0.11559 1.00000
Te4 Te 0.13619 0.13619 0.60654 1.00000
Te5 Te 0.63054 0.11559 0.63054 1.00000
Te6 Te 0.13619 0.60654 0.13619 1.00000
Te7 Te 0.11559 0.63054 0.63054 1.00000
Te8 Te 0.60654 0.13619 0.13619 1.00000
Te9 Te 0.12835 0.12835 0.12835 1.00000
Te10 Te 0.62889 0.62889 0.62889 1.00000
Te11 Te 0.86425 0.86425 0.39408 1.00000
Te12 Te 0.36384 0.36384 0.89250 1.00000
Te13 Te 0.86425 0.39408 0.86425 1.00000
Te14 Te 0.36384 0.89250 0.36384 1.00000
Te15 Te 0.39408 0.86425 0.86425 1.00000
Te16 Te 0.89250 0.36384 0.36384 1.00000
