ZnCu2SiTe4
Alexandria ALEXAlex-ID: agm044407101 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_415_spg82
Cu3SiTe4 ZnTe Si SiTe2
2025-03-09 07:15:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044407101).
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
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# CIF generated by HEAS from Alexandria entry agm044407101
data_agm044407101
_cell_length_a 7.36125
_cell_length_b 7.36125
_cell_length_c 7.36125
_cell_angle_alpha 131.54708
_cell_angle_beta 131.54708
_cell_angle_gamma 70.94531
_cell_volume 218.79891
_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
Zn1 Zn 0.25000 0.75000 0.50000 1.00000
Cu1 Cu 0.75000 0.25000 0.50000 1.00000
Cu2 Cu 0.50000 0.50000 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.11849 0.13109 0.49639 1.00000
Te2 Te 0.63471 0.62211 0.50361 1.00000
Te3 Te 0.37789 0.88151 0.01260 1.00000
Te4 Te 0.86891 0.36529 0.98740 1.00000
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