U8TaPt2
Alexandria ALEXAlex-ID: agm047963386 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2894_spg2
Ta7Pt U UPt
2024-09-22 02:06:19.747490
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047963386).
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 agm047963386
data_agm047963386
_cell_length_a 4.87513
_cell_length_b 5.35669
_cell_length_c 9.38727
_cell_angle_alpha 96.62079
_cell_angle_beta 90.04822
_cell_angle_gamma 117.10568
_cell_volume 216.36890
_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
U1 U 0.60153 0.70262 0.67230 1.00000
U2 U 0.80113 0.10107 0.95521 1.00000
U3 U 0.98651 0.47421 0.21501 1.00000
U4 U 0.01349 0.52579 0.78499 1.00000
U5 U 0.19887 0.89893 0.04479 1.00000
U6 U 0.39847 0.29738 0.32770 1.00000
U7 U 0.16192 0.82415 0.45296 1.00000
U8 U 0.83808 0.17585 0.54704 1.00000
Ta1 Ta 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.68959 0.88016 0.25315 1.00000
Pt2 Pt 0.31041 0.11984 0.74685 1.00000
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