U8GaPt2
Alexandria ALEXAlex-ID: agm014687955 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_2964_spg12
UGaPt U UPt
2024-08-26 03:11:57.957045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014687955).
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 agm014687955
data_agm014687955
_cell_length_a 3.97147
_cell_length_b 7.11105
_cell_length_c 8.25858
_cell_angle_alpha 101.04569
_cell_angle_beta 100.54573
_cell_angle_gamma 93.57408
_cell_volume 223.89612
_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 0.61742 0.94700 0.17867 1.00000
U2 U 0.21912 0.56913 0.64077 1.00000
U3 U 0.09212 0.72272 0.26949 1.00000
U4 U 0.99846 0.22666 0.11257 1.00000
U5 U 0.90788 0.27728 0.73051 1.00000
U6 U 0.78088 0.43087 0.35923 1.00000
U7 U 0.38258 0.05300 0.82133 1.00000
U8 U 0.00154 0.77334 0.88743 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Pt1 Pt 0.30832 0.14737 0.45256 1.00000
Pt2 Pt 0.69168 0.85263 0.54744 1.00000
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