Pr3ErTl3
Alexandria ALEXAlex-ID: agm003545555 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_296_spg12
Pr2Er3Tl4 Pr5Tl3 PrTl
2022-04-04 04:40:22.200737
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545555).
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 agm003545555
data_agm003545555
_cell_length_a 6.91036
_cell_length_b 6.91036
_cell_length_c 9.74701
_cell_angle_alpha 91.09728
_cell_angle_beta 91.09728
_cell_angle_gamma 104.40831
_cell_volume 450.58949
_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 0.59246 0.59246 0.31646 1.00000
Pr2 Pr 0.17982 0.82018 0.50000 1.00000
Pr3 Pr 0.82018 0.17982 0.50000 1.00000
Pr4 Pr 0.24282 0.75718 0.00000 1.00000
Pr5 Pr 0.75718 0.24282 0.00000 1.00000
Pr6 Pr 0.40754 0.40754 0.68354 1.00000
Er1 Er 0.72404 0.72404 0.95530 1.00000
Er2 Er 0.27596 0.27596 0.04470 1.00000
Tl1 Tl 0.96766 0.96766 0.22813 1.00000
Tl2 Tl 0.94430 0.52341 0.73644 1.00000
Tl3 Tl 0.52341 0.94430 0.73644 1.00000
Tl4 Tl 0.05570 0.47659 0.26356 1.00000
Tl5 Tl 0.47659 0.05570 0.26356 1.00000
Tl6 Tl 0.03234 0.03234 0.77187 1.00000
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