Pr5ScTl6
Alexandria ALEXAlex-ID: agm006110008 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Pr3Tl5 Pr2Sc3Tl4 PrTl
2023-09-06 11:55:35.220542
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006110008).
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 agm006110008
data_agm006110008
_cell_length_a 5.51068
_cell_length_b 7.71663
_cell_length_c 9.53395
_cell_angle_alpha 66.12830
_cell_angle_beta 72.79409
_cell_angle_gamma 90.00016
_cell_volume 350.80566
_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 0.67566 0.17541 0.64917 1.00000
Pr2 Pr 0.33602 0.33677 0.32646 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Pr4 Pr 0.66398 0.66323 0.67354 1.00000
Pr5 Pr 0.32434 0.82459 0.35083 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.84076 0.60443 0.31798 1.00000
Tl2 Tl 0.84077 0.07760 0.31797 1.00000
Tl3 Tl 0.49996 0.77352 0.00002 1.00000
Tl4 Tl 0.50004 0.22648 0.99998 1.00000
Tl5 Tl 0.15923 0.92240 0.68203 1.00000
Tl6 Tl 0.15924 0.39557 0.68202 1.00000
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