Y5BiTe5
Alexandria ALEXAlex-ID: agm003672847 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_41_spg12
Y3Te4 Y6Bi5Te Y5Te6
2022-04-09 18:42:15.615278
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672847).
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 agm003672847
data_agm003672847
_cell_length_a 6.21664
_cell_length_b 7.55144
_cell_length_c 8.71926
_cell_angle_alpha 106.64399
_cell_angle_beta 90.00000
_cell_angle_gamma 114.30662
_cell_volume 354.13599
_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
Y1 Y 0.83354 0.66708 0.17140 1.00000
Y2 Y 0.83464 0.66928 0.66348 1.00000
Y3 Y 0.50000 0.00000 0.00000 1.00000
Y4 Y 0.16536 0.33072 0.33652 1.00000
Y5 Y 0.16646 0.33292 0.82860 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.66211 0.32421 0.33734 1.00000
Te2 Te 0.66611 0.33222 0.82966 1.00000
Te3 Te 0.00000 0.00000 0.50000 1.00000
Te4 Te 0.33389 0.66778 0.17034 1.00000
Te5 Te 0.33789 0.67579 0.66266 1.00000
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