Pr7Tm12Tl
Alexandria ALEXAlex-ID: agm005807840 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_23_spg148
PrTm15 PrTm2 Pr5Tl3
2023-07-16 08:20:29.061934
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807840).
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 agm005807840
data_agm005807840
_cell_length_a 8.72703
_cell_length_b 8.72497
_cell_length_c 8.72573
_cell_angle_alpha 89.35855
_cell_angle_beta 89.35878
_cell_angle_gamma 89.33302
_cell_volume 664.27631
_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 0.21650 0.62284 0.77141 1.00000
Pr2 Pr 0.37719 0.22884 0.78354 1.00000
Pr3 Pr 0.22865 0.78357 0.37702 1.00000
Pr4 Pr 0.50000 0.50000 0.50000 1.00000
Pr5 Pr 0.77135 0.21643 0.62298 1.00000
Pr6 Pr 0.62281 0.77116 0.21646 1.00000
Pr7 Pr 0.78350 0.37716 0.22859 1.00000
Tm1 Tm 0.00611 0.33475 0.89135 1.00000
Tm2 Tm 0.66525 0.10845 0.99399 1.00000
Tm3 Tm 0.46026 0.12137 0.34044 1.00000
Tm4 Tm 0.87859 0.65964 0.53987 1.00000
Tm5 Tm 0.10874 0.99397 0.66526 1.00000
Tm6 Tm 0.65958 0.53991 0.87853 1.00000
Tm7 Tm 0.34042 0.46009 0.12147 1.00000
Tm8 Tm 0.89126 0.00603 0.33474 1.00000
Tm9 Tm 0.12141 0.34036 0.46013 1.00000
Tm10 Tm 0.53974 0.87863 0.65956 1.00000
Tm11 Tm 0.33475 0.89155 0.00601 1.00000
Tm12 Tm 0.99389 0.66525 0.10865 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
