Pm3TlGa
Alexandria ALEXAlex-ID: agm005809448 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7305_spg69
Pm5Tl4 Pm5TlGa2 PmGa
2023-07-03 23:31:40.386109
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809448).
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 agm005809448
data_agm005809448
_cell_length_a 6.04935
_cell_length_b 6.04935
_cell_length_c 9.10229
_cell_angle_alpha 103.08352
_cell_angle_beta 103.08352
_cell_angle_gamma 108.59787
_cell_volume 290.98028
_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 0.19208 0.69208 0.88358 1.00000
Pm2 Pm 0.80792 0.30792 0.11642 1.00000
Pm3 Pm 0.20375 0.08688 0.29007 1.00000
Pm4 Pm 0.41312 0.29625 0.70993 1.00000
Pm5 Pm 0.79625 0.91312 0.70993 1.00000
Pm6 Pm 0.58688 0.70375 0.29007 1.00000
Tl1 Tl 0.79278 0.29278 0.49965 1.00000
Tl2 Tl 0.20722 0.70722 0.50035 1.00000
Ga1 Ga 0.75003 0.74997 0.00000 1.00000
Ga2 Ga 0.24997 0.25003 0.00000 1.00000
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