UH8PdPt2
Alexandria ALEXAlex-ID: agm007407601 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_952_spg12
U(H3Pt)4 H4Pd U4H15 UPt3
2024-03-05 23:32:07.406653
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007407601).
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 agm007407601
data_agm007407601
_cell_length_a 4.59878
_cell_length_b 4.81103
_cell_length_c 5.39586
_cell_angle_alpha 79.24143
_cell_angle_beta 88.41533
_cell_angle_gamma 77.46969
_cell_volume 114.48039
_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 0.50000 0.00000 0.50000 1.00000
H1 H 0.79098 0.47857 0.60505 1.00000
H2 H 0.01133 0.09097 0.30848 1.00000
H3 H 0.20902 0.52143 0.39495 1.00000
H4 H 0.71107 0.81976 0.12941 1.00000
H5 H 0.28893 0.18024 0.87059 1.00000
H6 H 0.54174 0.41689 0.17877 1.00000
H7 H 0.45826 0.58311 0.82123 1.00000
H8 H 0.98867 0.90903 0.69152 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.85993 0.46125 0.27767 1.00000
Pt2 Pt 0.14007 0.53875 0.72233 1.00000
Get direct link