ZnCrCu4(SnTe4)2
Alexandria ALEXAlex-ID: agm010349983 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E8_30_spg6
Cr2CuTe4 Cu3SnTe4 ZnTe Cu SnTe
2024-07-08 23:55:35.556027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010349983).
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 agm010349983
data_agm010349983
_cell_length_a 8.70958
_cell_length_b 7.21865
_cell_length_c 7.53499
_cell_angle_alpha 89.67120
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 473.72811
_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 0.50000 0.19367 0.66575 1.00000
Cr1 Cr 0.00000 0.69951 0.33501 1.00000
Cu1 Cu 0.25048 0.69570 0.83164 1.00000
Cu2 Cu 0.74952 0.69570 0.83164 1.00000
Cu3 Cu 0.25108 0.19773 0.16729 1.00000
Cu4 Cu 0.74892 0.19773 0.16729 1.00000
Sn1 Sn 0.50000 0.69398 0.33435 1.00000
Sn2 Sn 0.00000 0.19854 0.66332 1.00000
Te1 Te 0.23621 0.55618 0.15085 1.00000
Te2 Te 0.76379 0.55618 0.15085 1.00000
Te3 Te 0.25961 0.05579 0.84951 1.00000
Te4 Te 0.74039 0.05579 0.84951 1.00000
Te5 Te 0.50000 0.09154 0.32468 1.00000
Te6 Te 0.00000 0.59448 0.67749 1.00000
Te7 Te 0.50000 0.56711 0.69271 1.00000
Te8 Te 0.00000 0.07038 0.30805 1.00000
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