Co4Cu3(NiTe6)2
Alexandria ALEXAlex-ID: agm009447328 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D12_47_spg12
Co3NiTe8 CoNiTe4 Cu
2024-07-21 05:52:11.306174
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009447328).
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 agm009447328
data_agm009447328
_cell_length_a 7.62874
_cell_length_b 7.62874
_cell_length_c 18.78968
_cell_angle_alpha 89.90522
_cell_angle_beta 89.90522
_cell_angle_gamma 59.91502
_cell_volume 946.19827
_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
Co1 Co 0.83339 0.83339 0.33368 1.00000
Co2 Co 0.16661 0.16661 0.66632 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Co4 Co 0.33340 0.83381 0.33353 1.00000
Co5 Co 0.66660 0.16619 0.66647 1.00000
Co6 Co 0.50000 0.00000 0.00000 1.00000
Co7 Co 0.83381 0.33340 0.33353 1.00000
Co8 Co 0.16619 0.66660 0.66647 1.00000
Cu1 Cu 0.66661 0.66661 0.54121 1.00000
Cu2 Cu 0.99949 0.99949 0.87391 1.00000
Cu3 Cu 0.33425 0.33425 0.20783 1.00000
Cu4 Cu 0.66575 0.66575 0.79217 1.00000
Cu5 Cu 0.00051 0.00051 0.12609 1.00000
Cu6 Cu 0.33339 0.33339 0.45879 1.00000
Ni1 Ni 0.33201 0.33201 0.83278 1.00000
Ni2 Ni 0.66799 0.66799 0.16722 1.00000
Ni3 Ni 0.00000 0.00000 0.50000 1.00000
Ni4 Ni 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.84934 0.84934 0.58903 1.00000
Te2 Te 0.18184 0.18184 0.92238 1.00000
Te3 Te 0.51703 0.51703 0.25617 1.00000
Te4 Te 0.00002 0.00002 0.73642 1.00000
Te5 Te 0.33086 0.33086 0.07025 1.00000
Te6 Te 0.66677 0.66677 0.40361 1.00000
Te7 Te 0.84932 0.30072 0.58913 1.00000
Te8 Te 0.17872 0.63427 0.92110 1.00000
Te9 Te 0.51642 0.96829 0.25613 1.00000
Te10 Te 0.30072 0.84932 0.58913 1.00000
Te11 Te 0.63427 0.17872 0.92110 1.00000
Te12 Te 0.96829 0.51642 0.25613 1.00000
Te13 Te 0.48297 0.48297 0.74383 1.00000
Te14 Te 0.81816 0.81816 0.07762 1.00000
Te15 Te 0.15066 0.15066 0.41097 1.00000
Te16 Te 0.33323 0.33323 0.59639 1.00000
Te17 Te 0.66914 0.66914 0.92975 1.00000
Te18 Te 0.99998 0.99998 0.26358 1.00000
Te19 Te 0.48358 0.03171 0.74387 1.00000
Te20 Te 0.82128 0.36573 0.07890 1.00000
Te21 Te 0.15068 0.69928 0.41087 1.00000
Te22 Te 0.03171 0.48358 0.74387 1.00000
Te23 Te 0.36573 0.82128 0.07890 1.00000
Te24 Te 0.69928 0.15068 0.41087 1.00000
