Ac4H2Pt3
Alexandria ALEXAlex-ID: agm005656949 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_14_spg15
AcH2 AcPt
2023-06-27 03:49:44.776949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656949).
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 agm005656949
data_agm005656949
_cell_length_a 6.82653
_cell_length_b 8.36733
_cell_length_c 8.36732
_cell_angle_alpha 76.44871
_cell_angle_beta 92.58493
_cell_angle_gamma 92.58494
_cell_volume 463.86810
_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
Ac1 Ac 0.52257 0.25939 0.94692 1.00000
Ac2 Ac 0.97743 0.05308 0.74061 1.00000
Ac3 Ac 0.47743 0.74061 0.05308 1.00000
Ac4 Ac 0.02257 0.94692 0.25939 1.00000
Ac5 Ac 0.91393 0.42463 0.26586 1.00000
Ac6 Ac 0.58607 0.73414 0.57537 1.00000
Ac7 Ac 0.08607 0.57537 0.73414 1.00000
Ac8 Ac 0.41393 0.26586 0.42463 1.00000
H1 H 0.56524 0.43550 0.16118 1.00000
H2 H 0.93476 0.83882 0.56450 1.00000
H3 H 0.43476 0.56450 0.83882 1.00000
H4 H 0.06524 0.16118 0.43550 1.00000
Pt1 Pt 0.04161 0.26208 0.99696 1.00000
Pt2 Pt 0.45839 0.00304 0.73792 1.00000
Pt3 Pt 0.95839 0.73792 0.00304 1.00000
Pt4 Pt 0.54161 0.99696 0.26208 1.00000
Pt5 Pt 0.75000 0.37866 0.62134 1.00000
Pt6 Pt 0.25000 0.62134 0.37866 1.00000
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