PrSm4Tl
Alexandria ALEXAlex-ID: agm003737101 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1218_spg15
Sm5Tl3 PrSm4 Pr5Tl3
2022-04-18 21:29:23.735556
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003737101).
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 agm003737101
data_agm003737101
_cell_length_a 6.60405
_cell_length_b 9.17424
_cell_length_c 8.44377
_cell_angle_alpha 112.78067
_cell_angle_beta 100.03658
_cell_angle_gamma 113.51851
_cell_volume 398.44683
_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 0.33873 0.58873 0.17746 1.00000
Pr2 Pr 0.66127 0.41127 0.82254 1.00000
Sm1 Sm 0.03855 0.16069 0.75467 1.00000
Sm2 Sm 0.75875 0.71504 0.62132 1.00000
Sm3 Sm 0.21612 0.59398 0.75467 1.00000
Sm4 Sm 0.36257 0.90628 0.62132 1.00000
Sm5 Sm 0.63743 0.09372 0.37868 1.00000
Sm6 Sm 0.78388 0.40602 0.24533 1.00000
Sm7 Sm 0.24125 0.28496 0.37868 1.00000
Sm8 Sm 0.96145 0.83931 0.24533 1.00000
Tl1 Tl 0.25034 0.00034 0.00068 1.00000
Tl2 Tl 0.74966 0.99966 0.99932 1.00000
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