Y6Te3P2Pb
Alexandria ALEXAlex-ID: agm004601092 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_305_spg12
Y2TeP Y2TePb
2022-06-28 17:53:56.026872
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004601092).
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 agm004601092
data_agm004601092
_cell_length_a 4.20869
_cell_length_b 8.67308
_cell_length_c 9.59501
_cell_angle_alpha 103.99371
_cell_angle_beta 102.66888
_cell_angle_gamma 90.00000
_cell_volume 331.05080
_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 0.33109 0.88213 0.66217 1.00000
Y2 Y 0.67687 0.56446 0.35373 1.00000
Y3 Y 0.66891 0.11787 0.33783 1.00000
Y4 Y 0.01354 0.25480 0.02708 1.00000
Y5 Y 0.98646 0.74520 0.97292 1.00000
Y6 Y 0.32313 0.43554 0.64627 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83708 0.16711 0.67415 1.00000
Te3 Te 0.16292 0.83289 0.32585 1.00000
P1 P 0.83064 0.66077 0.66129 1.00000
P2 P 0.16936 0.33923 0.33871 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
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