Sc5Tl4Pt
Alexandria ALEXAlex-ID: agm006111908 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_22_spg123
Sc5(Tl2Pt)2 Sc5Tl4
2023-10-18 01:27:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111908).
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 agm006111908
data_agm006111908
_cell_length_a 3.37589
_cell_length_b 3.37589
_cell_length_c 19.59075
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 223.26894
_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
Sc1 Sc 0.50000 0.50000 0.08083 1.00000
Sc2 Sc 0.50000 0.50000 0.29084 1.00000
Sc3 Sc 0.50000 0.50000 0.50000 1.00000
Sc4 Sc 0.50000 0.50000 0.70916 1.00000
Sc5 Sc 0.50000 0.50000 0.91917 1.00000
Tl1 Tl 0.00000 0.00000 0.18744 1.00000
Tl2 Tl 0.00000 0.00000 0.39543 1.00000
Tl3 Tl 0.00000 0.00000 0.60457 1.00000
Tl4 Tl 0.00000 0.00000 0.81256 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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