Pr3(ErTl2)2
Alexandria ALEXAlex-ID: agm005667980 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1192_spg164
Pr2Er3Tl4 Pr5Tl3 PrTl
2023-06-27 23:41:35.069264
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667980).
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 agm005667980
data_agm005667980
_cell_length_a 5.40905
_cell_length_b 5.41092
_cell_length_c 10.53936
_cell_angle_alpha 89.96208
_cell_angle_beta 89.99830
_cell_angle_gamma 60.01238
_cell_volume 267.17207
_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 0.33322 0.33358 0.41949 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.66678 0.66642 0.58051 1.00000
Er1 Er 0.33352 0.33293 0.77943 1.00000
Er2 Er 0.66648 0.66707 0.22057 1.00000
Tl1 Tl 0.66677 0.66645 0.89854 1.00000
Tl2 Tl 0.99985 0.00033 0.34112 1.00000
Tl3 Tl 0.00015 0.99967 0.65888 1.00000
Tl4 Tl 0.33323 0.33355 0.10146 1.00000
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