Pr3TlBi
Alexandria ALEXAlex-ID: agm003714799 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4881_spg15
Pr5Tl3 Pr5Bi3 PrTl
2022-05-01 10:31:47.817236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003714799).
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 agm003714799
data_agm003714799
_cell_length_a 9.18899
_cell_length_b 8.64825
_cell_length_c 8.64825
_cell_angle_alpha 88.42987
_cell_angle_beta 90.00942
_cell_angle_gamma 90.00967
_cell_volume 687.00719
_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 0.58294 0.80582 0.00797 1.00000
Pr2 Pr 0.91706 0.99203 0.19418 1.00000
Pr3 Pr 0.41706 0.19418 0.99203 1.00000
Pr4 Pr 0.08294 0.00797 0.80582 1.00000
Pr5 Pr 0.82410 0.43025 0.06973 1.00000
Pr6 Pr 0.67590 0.93027 0.56975 1.00000
Pr7 Pr 0.17590 0.56975 0.93027 1.00000
Pr8 Pr 0.32410 0.06973 0.43025 1.00000
Pr9 Pr 0.58295 0.49254 0.69447 1.00000
Pr10 Pr 0.91705 0.30553 0.50746 1.00000
Pr11 Pr 0.41705 0.50746 0.30553 1.00000
Pr12 Pr 0.08295 0.69447 0.49254 1.00000
Tl1 Tl 0.86598 0.69966 0.80101 1.00000
Tl2 Tl 0.63402 0.19899 0.30034 1.00000
Tl3 Tl 0.13402 0.30034 0.19899 1.00000
Tl4 Tl 0.36598 0.80101 0.69966 1.00000
Bi1 Bi 0.25000 0.84804 0.15196 1.00000
Bi2 Bi 0.75000 0.15196 0.84804 1.00000
Bi3 Bi 0.25000 0.34847 0.65153 1.00000
Bi4 Bi 0.75000 0.65153 0.34847 1.00000
