Pm6TlHg5
Alexandria ALEXAlex-ID: agm062395909 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
PmTl PmHg
2024-11-13 09:52:55.303379
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062395909).
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 agm062395909
data_agm062395909
_cell_length_a 9.37511
_cell_length_b 9.37511
_cell_length_c 9.37511
_cell_angle_alpha 146.34918
_cell_angle_beta 132.05974
_cell_angle_gamma 59.84539
_cell_volume 335.92745
_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
Pm1 Pm 0.91617 0.66801 0.24816 1.00000
Pm2 Pm 0.41986 0.66801 0.75184 1.00000
Pm3 Pm 0.74635 0.00000 0.74635 1.00000
Pm4 Pm 0.25365 0.00000 0.25365 1.00000
Pm5 Pm 0.58014 0.33199 0.24816 1.00000
Pm6 Pm 0.08383 0.33199 0.75184 1.00000
Tl1 Tl 0.00000 0.50000 0.50000 1.00000
Hg1 Hg 0.83408 0.83408 0.00000 1.00000
Hg2 Hg 0.66669 0.16669 0.50000 1.00000
Hg3 Hg 0.50000 0.50000 0.00000 1.00000
Hg4 Hg 0.33331 0.83331 0.50000 1.00000
Hg5 Hg 0.16592 0.16592 0.00000 1.00000
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