As2HPt8
Alexandria ALEXAlex-ID: agm006597286 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_279_spg12
H3Pt Pt As2Pt
2024-03-01 03:10:16.810809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006597286).
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 agm006597286
data_agm006597286
_cell_length_a 4.74447
_cell_length_b 6.05954
_cell_length_c 7.03102
_cell_angle_alpha 110.68711
_cell_angle_beta 99.05900
_cell_angle_gamma 106.19436
_cell_volume 174.07323
_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 0.18900 0.37863 0.75924 1.00000
As2 As 0.81100 0.62137 0.24076 1.00000
H1 H 0.50000 0.00000 0.00000 1.00000
Pt1 Pt 0.49826 0.22596 0.23676 1.00000
Pt2 Pt 0.38872 0.75365 0.34930 1.00000
Pt3 Pt 0.98279 0.25853 0.02749 1.00000
Pt4 Pt 0.01165 0.88206 0.63311 1.00000
Pt5 Pt 0.01721 0.74147 0.97251 1.00000
Pt6 Pt 0.61128 0.24635 0.65070 1.00000
Pt7 Pt 0.50174 0.77404 0.76324 1.00000
Pt8 Pt 0.98835 0.11794 0.36689 1.00000
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