Th2Ge2H5
Alexandria ALEXAlex-ID: agm007281616 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_396_spg12
ThGe2 Th4H15 Ge
2024-03-15 19:15:31.009561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007281616).
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 agm007281616
data_agm007281616
_cell_length_a 7.85013
_cell_length_b 7.85013
_cell_length_c 4.50358
_cell_angle_alpha 71.78632
_cell_angle_beta 71.78632
_cell_angle_gamma 30.81841
_cell_volume 134.50387
_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
Th1 Th 0.14542 0.14542 0.49860 1.00000
Th2 Th 0.85458 0.85458 0.50140 1.00000
Ge1 Ge 0.36093 0.36093 0.99195 1.00000
Ge2 Ge 0.63907 0.63907 0.00805 1.00000
H1 H 0.42768 0.42768 0.24036 1.00000
H2 H 0.57232 0.57232 0.75964 1.00000
H3 H 0.28388 0.28388 0.61620 1.00000
H4 H 0.71612 0.71612 0.38380 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
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