U8RePt2
Alexandria ALEXAlex-ID: agm048217440 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_462_spg12
U2Re U UPt
2024-11-01 08:26:44.084126
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048217440).
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 agm048217440
data_agm048217440
_cell_length_a 4.83901
_cell_length_b 5.25773
_cell_length_c 9.57245
_cell_angle_alpha 96.37449
_cell_angle_beta 90.00546
_cell_angle_gamma 117.39948
_cell_volume 214.52450
_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 0.99915 0.99816 0.28511 1.00000
U2 U 0.42227 0.84461 0.84495 1.00000
U3 U 0.83681 0.67358 0.04312 1.00000
U4 U 0.23825 0.47657 0.58202 1.00000
U5 U 0.16319 0.32642 0.95688 1.00000
U6 U 0.57773 0.15539 0.15505 1.00000
U7 U 0.00085 0.00184 0.71489 1.00000
U8 U 0.76175 0.52343 0.41798 1.00000
Re1 Re 0.50000 0.00000 0.50000 1.00000
Pt1 Pt 0.29555 0.59095 0.25634 1.00000
Pt2 Pt 0.70445 0.40905 0.74366 1.00000
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