Pm6Tl5Sb
Alexandria ALEXAlex-ID: agm006111126 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
PmTl PmSb
2023-09-05 15:33:26.598931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111126).
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 agm006111126
data_agm006111126
_cell_length_a 5.18955
_cell_length_b 9.24113
_cell_length_c 9.24107
_cell_angle_alpha 113.80849
_cell_angle_beta 106.31144
_cell_angle_gamma 106.31141
_cell_volume 347.71586
_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
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.17911 0.82090 1.00000
Tl2 Tl 0.00001 0.33674 0.66327 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Tl4 Tl 0.99999 0.66326 0.33673 1.00000
Tl5 Tl 0.50000 0.82089 0.17910 1.00000
Pm1 Pm 0.24421 0.08059 0.40810 1.00000
Pm2 Pm 0.75579 0.59191 0.91941 1.00000
Pm3 Pm 0.74167 0.24171 0.24171 1.00000
Pm4 Pm 0.25833 0.75829 0.75829 1.00000
Pm5 Pm 0.24421 0.40809 0.08059 1.00000
Pm6 Pm 0.75579 0.91941 0.59190 1.00000
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