Mg(Cu4Te3)2
Alexandria ALEXAlex-ID: agm072991981 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_125_spg148
CuTe Cu MgTe
2024-10-06 17:41:38.340985
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072991981).
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 agm072991981
data_agm072991981
_cell_length_a 7.51614
_cell_length_b 7.51614
_cell_length_c 7.51614
_cell_angle_alpha 108.21435
_cell_angle_beta 108.21435
_cell_angle_gamma 108.21435
_cell_volume 341.22384
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.65425 0.65425 0.65425 1.00000
Cu2 Cu 0.34575 0.34575 0.34575 1.00000
Cu3 Cu 0.44187 0.77157 0.38877 1.00000
Cu4 Cu 0.77157 0.38877 0.44187 1.00000
Cu5 Cu 0.38877 0.44187 0.77157 1.00000
Cu6 Cu 0.55813 0.22843 0.61123 1.00000
Cu7 Cu 0.22843 0.61123 0.55813 1.00000
Cu8 Cu 0.61123 0.55813 0.22843 1.00000
Te1 Te 0.78838 0.56753 0.97417 1.00000
Te2 Te 0.56753 0.97417 0.78838 1.00000
Te3 Te 0.97417 0.78838 0.56753 1.00000
Te4 Te 0.21162 0.43247 0.02583 1.00000
Te5 Te 0.43247 0.02583 0.21162 1.00000
Te6 Te 0.02583 0.21162 0.43247 1.00000
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