Pr4Te3I
Alexandria ALEXAlex-ID: agm006038863 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_43_spg166
Pr2TeI2 PrTe Pr
2023-10-07 02:45:21.547425
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006038863).
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 agm006038863
data_agm006038863
_cell_length_a 4.58183
_cell_length_b 4.58183
_cell_length_c 14.94525
_cell_angle_alpha 81.18254
_cell_angle_beta 81.18254
_cell_angle_gamma 60.00000
_cell_volume 267.42334
_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
Pr1 Pr 0.61903 0.61903 0.14291 1.00000
Pr2 Pr 0.87663 0.87663 0.37010 1.00000
Pr3 Pr 0.38097 0.38097 0.85709 1.00000
Pr4 Pr 0.12337 0.12337 0.62990 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.75130 0.75130 0.74609 1.00000
Te2 Te 0.50000 0.50000 0.50000 1.00000
Te3 Te 0.24870 0.24870 0.25391 1.00000
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