Ti8GeO2
Alexandria ALEXAlex-ID: agm003534656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_432_spg12
Ti6O Ti3O Ti5Ge3
2022-04-25 19:02:27.664853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003534656).
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 agm003534656
data_agm003534656
_cell_length_a 4.35594
_cell_length_b 6.55228
_cell_length_c 6.55228
_cell_angle_alpha 120.96855
_cell_angle_beta 91.46117
_cell_angle_gamma 91.46117
_cell_volume 160.13731
_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
Ti1 Ti 0.93430 0.87505 0.61032 1.00000
Ti2 Ti 0.93430 0.61032 0.87505 1.00000
Ti3 Ti 0.35903 0.62510 0.62510 1.00000
Ti4 Ti 0.50000 0.75557 0.24443 1.00000
Ti5 Ti 0.50000 0.24443 0.75557 1.00000
Ti6 Ti 0.64097 0.37490 0.37490 1.00000
Ti7 Ti 0.06570 0.38968 0.12495 1.00000
Ti8 Ti 0.06570 0.12495 0.38968 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
O1 O 0.00000 0.24303 0.75697 1.00000
O2 O 0.00000 0.75697 0.24303 1.00000
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