Ge3(HPt4)2
Alexandria ALEXAlex-ID: agm006393142 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_794_spg2
GePt3 H3Pt GePt2
2024-02-26 23:38:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006393142).
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 agm006393142
data_agm006393142
_cell_length_a 5.60891
_cell_length_b 5.51787
_cell_length_c 6.64561
_cell_angle_alpha 104.45157
_cell_angle_beta 96.30675
_cell_angle_gamma 104.34706
_cell_volume 189.69825
_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 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.32108 0.14547 0.46224 1.00000
Ge3 Ge 0.67892 0.85453 0.53776 1.00000
H1 H 0.98239 0.51785 0.77138 1.00000
H2 H 0.01761 0.48215 0.22862 1.00000
Pt1 Pt 0.45916 0.20800 0.14016 1.00000
Pt2 Pt 0.54084 0.79200 0.85984 1.00000
Pt3 Pt 0.09260 0.75914 0.61255 1.00000
Pt4 Pt 0.19009 0.31654 0.81006 1.00000
Pt5 Pt 0.67753 0.31085 0.77643 1.00000
Pt6 Pt 0.80991 0.68346 0.18994 1.00000
Pt7 Pt 0.90740 0.24086 0.38745 1.00000
Pt8 Pt 0.32247 0.68915 0.22357 1.00000
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