Th3TcGe5
Alexandria ALEXAlex-ID: agm072447516 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_857_spg71
Th2Ge3 Th2Tc3Ge5 ThGe
2024-09-24 09:36:24.951374
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072447516).
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 agm072447516
data_agm072447516
_cell_length_a 5.84080
_cell_length_b 5.55970
_cell_length_c 7.39386
_cell_angle_alpha 110.26065
_cell_angle_beta 111.54469
_cell_angle_gamma 94.38348
_cell_volume 203.72517
_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 0.42230 0.82052 0.99956 1.00000
Th2 Th 0.55784 0.05821 0.54422 1.00000
Th3 Th 0.01359 0.51375 0.45551 1.00000
Tc1 Tc 0.00157 0.08721 0.00089 1.00000
Ge1 Ge 0.70338 0.37327 0.99975 1.00000
Ge2 Ge 0.17234 0.17000 0.74272 1.00000
Ge3 Ge 0.98235 0.90796 0.26657 1.00000
Ge4 Ge 0.43051 0.42739 0.25719 1.00000
Ge5 Ge 0.71612 0.64168 0.73360 1.00000
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