Pr4TePb3
Alexandria ALEXAlex-ID: agm006042002 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_12_spg65
Pr2TePb Pr3Pb4 Pr4Pb3
2023-10-20 03:39:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006042002).
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 agm006042002
data_agm006042002
_cell_length_a 4.47800
_cell_length_b 8.02223
_cell_length_c 8.02226
_cell_angle_alpha 72.02462
_cell_angle_beta 90.01208
_cell_angle_gamma 90.01207
_cell_volume 274.12151
_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 0.99996 0.74756 0.75252 1.00000
Pr2 Pr 0.49999 0.74840 0.24825 1.00000
Pr3 Pr 0.99996 0.25265 0.24742 1.00000
Pr4 Pr 0.49993 0.25186 0.75170 1.00000
Pb1 Pb 0.49996 0.00012 0.49999 1.00000
Pb2 Pb 0.99995 0.00014 0.99992 1.00000
Pb3 Pb 0.99996 0.50008 0.50000 1.00000
Te1 Te 0.49996 0.50011 0.99996 1.00000
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