Pm3TlGe
Alexandria ALEXAlex-ID: agm005809206 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7305_spg69
Pm5TlGe2 PmTl
2023-07-04 00:54:51.276673
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809206).
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
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# CIF generated by HEAS from Alexandria entry agm005809206
data_agm005809206
_cell_length_a 6.03613
_cell_length_b 6.03613
_cell_length_c 9.07143
_cell_angle_alpha 102.89570
_cell_angle_beta 102.89571
_cell_angle_gamma 109.25503
_cell_volume 287.90672
_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 0.19045 0.69045 0.88083 1.00000
Pm2 Pm 0.80955 0.30955 0.11917 1.00000
Pm3 Pm 0.20501 0.08204 0.28768 1.00000
Pm4 Pm 0.41796 0.29499 0.71232 1.00000
Pm5 Pm 0.79499 0.91796 0.71232 1.00000
Pm6 Pm 0.58204 0.70501 0.28768 1.00000
Tl1 Tl 0.79118 0.29118 0.50009 1.00000
Tl2 Tl 0.20882 0.70882 0.49991 1.00000
Ge1 Ge 0.75003 0.74997 0.00000 1.00000
Ge2 Ge 0.24997 0.25003 1.00000 1.00000
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