InGa(CuTe2)2
Alexandria ALEXAlex-ID: agm005282452 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_36_spg42
InCuTe2 GaCuTe2
2023-04-21 00:44:41.163067
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282452).
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 agm005282452
data_agm005282452
_cell_length_a 7.59222
_cell_length_b 7.59222
_cell_length_c 7.59222
_cell_angle_alpha 131.88258
_cell_angle_beta 131.88258
_cell_angle_gamma 70.41455
_cell_volume 237.71151
_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
In1 In 0.50000 0.50000 0.00000 1.00000
Ga1 Ga 0.75000 0.25000 0.50000 1.00000
Cu1 Cu 0.25000 0.75000 0.50000 1.00000
Cu2 Cu 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.63207 0.64412 0.53577 1.00000
Te2 Te 0.10836 0.09630 0.46423 1.00000
Te3 Te 0.90370 0.36793 0.01206 1.00000
Te4 Te 0.35588 0.89164 0.98794 1.00000
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