Ti(GeH3)2
Alexandria ALEXAlex-ID: agm097895993 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2967_spg2
GeH8 Ge TiH2
2025-04-29 17:57:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097895993).
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 agm097895993
data_agm097895993
_cell_length_a 3.38039
_cell_length_b 3.42801
_cell_length_c 7.58042
_cell_angle_alpha 90.36034
_cell_angle_beta 77.11781
_cell_angle_gamma 90.00454
_cell_volume 85.62923
_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 0.57827 0.61100 0.70464 1.00000
Ge1 Ge 0.89786 0.61524 0.06715 1.00000
Ge2 Ge 0.17373 0.10915 0.51953 1.00000
H1 H 0.43795 0.61418 0.98579 1.00000
H2 H 0.69494 0.60478 0.46233 1.00000
H3 H 0.53066 0.11220 0.80250 1.00000
H4 H 0.27623 0.10504 0.30731 1.00000
H5 H 0.01926 0.61308 0.82271 1.00000
H6 H 0.89109 0.11533 0.07803 1.00000
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