Y5Te5C
Alexandria ALEXAlex-ID: agm003672845 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_0_spg12
Y6Te5C Y5Te6 Y2TeC2
2022-04-09 10:45:24.844361
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672845).
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 agm003672845
data_agm003672845
_cell_length_a 6.03108
_cell_length_b 7.34716
_cell_length_c 8.42373
_cell_angle_alpha 107.55110
_cell_angle_beta 90.00000
_cell_angle_gamma 114.23222
_cell_volume 321.22774
_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 0.85636 0.71271 0.13917 1.00000
Y2 Y 0.85999 0.71997 0.71501 1.00000
Y3 Y 0.50000 0.00000 0.00000 1.00000
Y4 Y 0.14001 0.28003 0.28499 1.00000
Y5 Y 0.14364 0.28729 0.86083 1.00000
Te1 Te 0.68005 0.36010 0.33429 1.00000
Te2 Te 0.65937 0.31874 0.81357 1.00000
Te3 Te 0.00000 0.00000 0.50000 1.00000
Te4 Te 0.34063 0.68126 0.18643 1.00000
Te5 Te 0.31995 0.63990 0.66571 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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