Cs3H7Pt2
Alexandria ALEXAlex-ID: agm006376399 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_1_spg139
Cs2H4Pt Pt Cs2H6Pt
2024-02-26 14:40:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006376399).
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 agm006376399
data_agm006376399
_cell_length_a 4.37527
_cell_length_b 4.32719
_cell_length_c 11.05879
_cell_angle_alpha 79.70029
_cell_angle_beta 79.61226
_cell_angle_gamma 90.46990
_cell_volume 202.44509
_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
Cs1 Cs 0.50000 0.50000 0.00000 1.00000
Cs2 Cs 0.68177 0.68108 0.63984 1.00000
Cs3 Cs 0.31823 0.31892 0.36016 1.00000
H1 H 0.90801 0.32484 0.17990 1.00000
H2 H 0.82295 0.82412 0.32541 1.00000
H3 H 0.00000 0.00000 0.00000 1.00000
H4 H 0.09199 0.67516 0.82010 1.00000
H5 H 0.68288 0.09205 0.81976 1.00000
H6 H 0.31712 0.90795 0.18024 1.00000
H7 H 0.17705 0.17588 0.67459 1.00000
Pt1 Pt 0.91924 0.91959 0.17406 1.00000
Pt2 Pt 0.08076 0.08041 0.82594 1.00000
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