GeHPt2S
Alexandria ALEXAlex-ID: agm007461476 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_2112_spg15
GePtS H3Pt GePt2 PtS
2024-03-26 13:49:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007461476).
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 agm007461476
data_agm007461476
_cell_length_a 3.93693
_cell_length_b 6.86497
_cell_length_c 6.71793
_cell_angle_alpha 103.77124
_cell_angle_beta 98.58464
_cell_angle_gamma 101.14407
_cell_volume 169.34858
_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
Ge1 Ge 0.86884 0.66482 0.17079 1.00000
Ge2 Ge 0.13116 0.33518 0.82921 1.00000
H1 H 0.50000 0.00000 0.50000 1.00000
H2 H 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.45457 0.89897 0.23316 1.00000
Pt2 Pt 0.54543 0.10103 0.76684 1.00000
Pt3 Pt 0.33174 0.45631 0.23220 1.00000
Pt4 Pt 0.66826 0.54369 0.76780 1.00000
S1 S 0.30280 0.78876 0.83116 1.00000
S2 S 0.69720 0.21124 0.16884 1.00000
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