Pm12Tl5Co2
Alexandria ALEXAlex-ID: agm003371377 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_4_spg12
Pm5Tl2Co Pm2Tl
2022-02-06 17:24:25.721187
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003371377).
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 agm003371377
data_agm003371377
_cell_length_a 7.81749
_cell_length_b 9.43319
_cell_length_c 10.01369
_cell_angle_alpha 105.32872
_cell_angle_beta 90.00000
_cell_angle_gamma 114.47907
_cell_volume 643.09450
_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 0.00002 0.00004 0.17849 1.00000
Pm2 Pm 0.11111 0.68711 0.92101 1.00000
Pm3 Pm 0.57599 0.68711 0.92101 1.00000
Pm4 Pm 0.09147 0.69315 0.42277 1.00000
Pm5 Pm 0.60168 0.69315 0.42277 1.00000
Pm6 Pm 0.50135 0.00270 0.77159 1.00000
Pm7 Pm 0.49865 0.99730 0.22841 1.00000
Pm8 Pm 0.90853 0.30685 0.57723 1.00000
Pm9 Pm 0.39832 0.30685 0.57723 1.00000
Pm10 Pm 0.88889 0.31289 0.07899 1.00000
Pm11 Pm 0.42401 0.31289 0.07899 1.00000
Pm12 Pm 0.99998 0.99996 0.82151 1.00000
Tl1 Tl 0.30711 0.61422 0.63981 1.00000
Tl2 Tl 0.30341 0.60683 0.16263 1.00000
Tl3 Tl 0.00000 0.00000 0.50000 1.00000
Tl4 Tl 0.69659 0.39317 0.83737 1.00000
Tl5 Tl 0.69289 0.38578 0.36019 1.00000
Co1 Co 0.70809 0.00000 0.00000 1.00000
Co2 Co 0.29191 1.00000 0.00000 1.00000
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