Pm3Pr4Tl
Alexandria ALEXAlex-ID: agm005998660 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Pm2Pr Pr5Tl3 Pr
2023-10-20 02:46:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998660).
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 agm005998660
data_agm005998660
_cell_length_a 5.05261
_cell_length_b 5.05266
_cell_length_c 11.07134
_cell_angle_alpha 103.18351
_cell_angle_beta 103.18482
_cell_angle_gamma 90.00239
_cell_volume 267.53348
_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 0.37833 0.37867 0.75735 1.00000
Pr2 Pr 0.62167 0.62133 0.24265 1.00000
Pr3 Pr 0.12114 0.12181 0.24263 1.00000
Pr4 Pr 0.87886 0.87819 0.75737 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Pm1 Pm 0.00000 0.50000 0.00000 1.00000
Pm2 Pm 0.75153 0.25153 0.50325 1.00000
Pm3 Pm 0.24847 0.74847 0.49675 1.00000
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