U2Zn(H4Pt)3
Alexandria ALEXAlex-ID: agm006612759 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
U4H15 U(H3Pt)4 H10Pt ZnPt
2024-01-28 21:48:36.241402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006612759).
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 agm006612759
data_agm006612759
_cell_length_a 6.42128
_cell_length_b 6.45341
_cell_length_c 5.71535
_cell_angle_alpha 64.25952
_cell_angle_beta 64.35475
_cell_angle_gamma 51.44012
_cell_volume 162.34393
_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 0.55613 0.57466 0.69352 1.00000
U2 U 0.32999 0.31359 0.40654 1.00000
Zn1 Zn 0.99323 0.99460 0.06763 1.00000
H1 H 0.30256 0.30233 0.97539 1.00000
H2 H 0.78396 0.85494 0.46103 1.00000
H3 H 0.39622 0.96430 0.76829 1.00000
H4 H 0.92248 0.49593 0.33669 1.00000
H5 H 0.96038 0.40719 0.76120 1.00000
H6 H 0.51690 0.91721 0.32637 1.00000
H7 H 0.58107 0.58243 0.14377 1.00000
H8 H 0.08759 0.02391 0.65920 1.00000
H9 H 0.64705 0.22810 0.04043 1.00000
H10 H 0.24248 0.62690 0.56371 1.00000
H11 H 0.22578 0.64596 0.05138 1.00000
H12 H 0.63046 0.24544 0.57203 1.00000
Pt1 Pt 0.44769 0.94260 0.05205 1.00000
Pt2 Pt 0.94199 0.44679 0.05149 1.00000
Pt3 Pt 0.93401 0.93313 0.56928 1.00000
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