UH4Pt3
Alexandria ALEXAlex-ID: agm006445271 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_220_spg8
U(H3Pt)4 U4H15 UPt3
2024-02-27 19:06:15.438672
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006445271).
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
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# CIF generated by HEAS from Alexandria entry agm006445271
data_agm006445271
_cell_length_a 4.10423
_cell_length_b 5.03552
_cell_length_c 4.58789
_cell_angle_alpha 87.30298
_cell_angle_beta 80.59875
_cell_angle_gamma 87.28251
_cell_volume 93.36453
_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 0.87850 0.96906 0.99246 1.00000
H1 H 0.49666 0.43547 0.07497 1.00000
H2 H 0.04003 0.60762 0.53311 1.00000
H3 H 0.33322 0.97104 0.20091 1.00000
H4 H 0.81359 0.14121 0.46511 1.00000
Pt1 Pt 0.44926 0.94560 0.57660 1.00000
Pt2 Pt 0.23221 0.45111 0.81642 1.00000
Pt3 Pt 0.75653 0.47889 0.34043 1.00000
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