Pr6HgTe4
Alexandria ALEXAlex-ID: agm006061237 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_35_spg167
Pr5HgTe4 Pr
2023-10-09 06:16:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006061237).
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 agm006061237
data_agm006061237
_cell_length_a 8.91839
_cell_length_b 8.91839
_cell_length_c 8.91839
_cell_angle_alpha 89.41602
_cell_angle_beta 89.41600
_cell_angle_gamma 90.58399
_cell_volume 709.23780
_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 0.67827 0.05690 0.07468 1.00000
Pr2 Pr 0.07468 0.32173 0.05690 1.00000
Pr3 Pr 0.57468 0.44310 0.17827 1.00000
Pr4 Pr 0.94310 0.07468 0.67827 1.00000
Pr5 Pr 0.55690 0.17827 0.57468 1.00000
Pr6 Pr 0.17827 0.42532 0.44310 1.00000
Pr7 Pr 0.82173 0.57468 0.55690 1.00000
Pr8 Pr 0.44310 0.82173 0.42532 1.00000
Pr9 Pr 0.05690 0.92532 0.32173 1.00000
Pr10 Pr 0.42532 0.55690 0.82173 1.00000
Pr11 Pr 0.92532 0.67827 0.94310 1.00000
Pr12 Pr 0.32173 0.94310 0.92532 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.36226 0.13774 0.25000 1.00000
Te2 Te 0.86226 0.25000 0.36226 1.00000
Te3 Te 0.25000 0.63774 0.13774 1.00000
Te4 Te 0.25000 0.25000 0.75000 1.00000
Te5 Te 0.75000 0.75000 0.25000 1.00000
Te6 Te 0.75000 0.36226 0.86226 1.00000
Te7 Te 0.13774 0.75000 0.63774 1.00000
Te8 Te 0.63774 0.86226 0.75000 1.00000
