PH2Pt5
Alexandria ALEXAlex-ID: agm006019171 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_802_spg11
H3Pt P2Pt5 Pt
2023-07-10 08:18:05.418657
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019171).
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 agm006019171
data_agm006019171
_cell_length_a 6.54393
_cell_length_b 11.05614
_cell_length_c 5.64521
_cell_angle_alpha 90.00075
_cell_angle_beta 89.99952
_cell_angle_gamma 145.16598
_cell_volume 233.29802
_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
P1 P 0.16011 0.82282 0.75000 1.00000
P2 P 0.83989 0.17718 0.25000 1.00000
H1 H 0.70795 0.60718 0.39377 1.00000
H2 H 0.70797 0.60718 0.10623 1.00000
H3 H 0.29205 0.39282 0.60623 1.00000
H4 H 0.29203 0.39282 0.89377 1.00000
Pt1 Pt 0.89753 0.83335 0.00353 1.00000
Pt2 Pt 0.89753 0.83336 0.49648 1.00000
Pt3 Pt 0.14241 0.45726 0.50422 1.00000
Pt4 Pt 0.14241 0.45727 0.99579 1.00000
Pt5 Pt 0.49778 0.17812 0.25000 1.00000
Pt6 Pt 0.50222 0.82188 0.75000 1.00000
Pt7 Pt 0.85759 0.54274 0.49578 1.00000
Pt8 Pt 0.85759 0.54273 0.00421 1.00000
Pt9 Pt 0.10247 0.16665 0.99647 1.00000
Pt10 Pt 0.10247 0.16664 0.50352 1.00000
Get direct link