Th2Zn3Ge
Alexandria ALEXAlex-ID: agm021237450 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_132_spg69
Th2Zn5Ge Th3Ge2 ThZn2
2025-04-15 11:14:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021237450).
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 agm021237450
data_agm021237450
_cell_length_a 8.79410
_cell_length_b 8.56797
_cell_length_c 5.89020
_cell_angle_alpha 72.25168
_cell_angle_beta 68.11205
_cell_angle_gamma 39.63627
_cell_volume 262.58692
_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 0.25290 0.74710 0.74710 1.00000
Th2 Th 0.74710 0.25290 0.25290 1.00000
Th3 Th 0.75000 0.75000 0.75000 1.00000
Th4 Th 0.25000 0.25000 0.25000 1.00000
Zn1 Zn 0.16431 0.67003 0.32997 1.00000
Zn2 Zn 0.67003 0.16431 0.83569 1.00000
Zn3 Zn 0.83499 0.83499 0.16501 1.00000
Zn4 Zn 0.16501 0.16501 0.83499 1.00000
Zn5 Zn 0.32997 0.83569 0.16431 1.00000
Zn6 Zn 0.83569 0.32997 0.67003 1.00000
Ge1 Ge 0.33203 0.33203 0.66797 1.00000
Ge2 Ge 0.66797 0.66797 0.33203 1.00000
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