As3(HPt3)2
Alexandria ALEXAlex-ID: agm006359552 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_279_spg71
H3Pt Pt As2Pt
2024-02-23 17:54:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006359552).
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 agm006359552
data_agm006359552
_cell_length_a 12.88082
_cell_length_b 12.88082
_cell_length_c 3.87953
_cell_angle_alpha 101.91254
_cell_angle_beta 101.91254
_cell_angle_gamma 16.85256
_cell_volume 182.49920
_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
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.81701 0.81701 0.36196 1.00000
As3 As 0.18299 0.18299 0.63804 1.00000
H1 H 0.40482 0.40482 0.79287 1.00000
H2 H 0.59518 0.59518 0.20713 1.00000
Pt1 Pt 0.55050 0.55050 0.78977 1.00000
Pt2 Pt 0.08935 0.08935 0.38524 1.00000
Pt3 Pt 0.44950 0.44950 0.21023 1.00000
Pt4 Pt 0.91065 0.91065 0.61476 1.00000
Pt5 Pt 0.74887 0.74887 0.75285 1.00000
Pt6 Pt 0.25113 0.25113 0.24715 1.00000
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