Ac3TlPt2
Alexandria ALEXAlex-ID: agm005802628 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2210_spg63
Ac6Pt5 Ac3Tl5
2023-08-24 11:00:48.166347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802628).
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 agm005802628
data_agm005802628
_cell_length_a 5.48561
_cell_length_b 7.61799
_cell_length_c 10.20560
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.10282
_cell_volume 397.88320
_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
Ac1 Ac 0.62515 0.25030 0.05300 1.00000
Ac2 Ac 0.10356 0.20712 0.75000 1.00000
Ac3 Ac 0.62515 0.25030 0.44700 1.00000
Ac4 Ac 0.89644 0.79288 0.25000 1.00000
Ac5 Ac 0.37485 0.74970 0.94700 1.00000
Ac6 Ac 0.37485 0.74970 0.55300 1.00000
Tl1 Tl 0.22812 0.45624 0.25000 1.00000
Tl2 Tl 0.77188 0.54376 0.75000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
Pt3 Pt 0.46197 0.92395 0.25000 1.00000
Pt4 Pt 0.53803 0.07605 0.75000 1.00000
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