Li3Pr2SbTe6
Alexandria ALEXAlex-ID: agm040367345 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_42_spg12
Pr8Te15 Li2Te Sb16Te3 Sb2Te3
2024-10-28 13:19:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040367345).
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 agm040367345
data_agm040367345
_cell_length_a 7.72647
_cell_length_b 7.72647
_cell_length_c 7.49675
_cell_angle_alpha 80.21393
_cell_angle_beta 99.78607
_cell_angle_gamma 59.95322
_cell_volume 364.29686
_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
Li1 Li 0.15735 0.15735 0.50000 1.00000
Li2 Li 0.84265 0.84265 0.50000 1.00000
Li3 Li 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.33212 0.33212 0.00000 1.00000
Pr2 Pr 0.66788 0.66788 0.00000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.40885 0.91251 0.26270 1.00000
Te2 Te 0.23792 0.76208 0.74297 1.00000
Te3 Te 0.59115 0.08749 0.73730 1.00000
Te4 Te 0.08749 0.59115 0.26270 1.00000
Te5 Te 0.76208 0.23792 0.25703 1.00000
Te6 Te 0.91251 0.40885 0.73730 1.00000
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