GePtO2
Alexandria ALEXAlex-ID: agm002115151 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6129_spg1
Pt GeO2
2021-11-12 11:35:55.370063
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002115151).
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
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# CIF generated by HEAS from Alexandria entry agm002115151
data_agm002115151
_cell_length_a 2.86879
_cell_length_b 5.93741
_cell_length_c 6.17591
_cell_angle_alpha 77.86577
_cell_angle_beta 88.27021
_cell_angle_gamma 84.20655
_cell_volume 102.31557
_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 0.33708 0.26698 0.21976 1.00000
Ge2 Ge 0.15451 0.60874 0.56428 1.00000
Pt1 Pt 0.11423 0.95842 0.74702 1.00000
Pt2 Pt 0.65155 0.63116 0.03979 1.00000
O1 O 0.67489 0.49238 0.76411 1.00000
O2 O 0.21860 0.27761 0.50685 1.00000
O3 O 0.63641 0.70013 0.35807 1.00000
O4 O 0.88249 0.10472 0.15721 1.00000
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