GePtO2
Alexandria ALEXAlex-ID: agm002115154 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6135_spg9
Pt GeO2
2021-11-14 22:13:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002115154).
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 agm002115154
data_agm002115154
_cell_length_a 6.98171
_cell_length_b 5.14476
_cell_length_c 7.79205
_cell_angle_alpha 90.00000
_cell_angle_beta 131.63500
_cell_angle_gamma 90.00000
_cell_volume 209.18327
_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 0.43222 0.20455 0.40735 1.00000
Ge2 Ge 0.93222 0.79545 0.90735 1.00000
Ge3 Ge 0.43222 0.70455 0.90735 1.00000
Ge4 Ge 0.93222 0.29545 0.40735 1.00000
O1 O 0.38782 0.55337 0.46560 1.00000
O2 O 0.88782 0.44663 0.96560 1.00000
O3 O 0.38782 0.05337 0.96560 1.00000
O4 O 0.88782 0.94663 0.46560 1.00000
O5 O 0.73293 0.39142 0.48234 1.00000
O6 O 0.23293 0.60858 0.98234 1.00000
O7 O 0.73293 0.89142 0.98234 1.00000
O8 O 0.23293 0.10858 0.48234 1.00000
Pt1 Pt 0.63423 0.78175 0.48134 1.00000
Pt2 Pt 0.13423 0.21825 0.98134 1.00000
Pt3 Pt 0.63423 0.28175 0.98134 1.00000
Pt4 Pt 0.13423 0.71825 0.48134 1.00000
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