Th3Zn3Ag
Alexandria ALEXAlex-ID: agm044652249 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_76_spg44
Th2ZnAg3 Th2Zn ThZn2
2025-06-30 05:45:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044652249).
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 agm044652249
data_agm044652249
_cell_length_a 10.55995
_cell_length_b 10.55995
_cell_length_c 10.55995
_cell_angle_alpha 160.62074
_cell_angle_beta 154.81070
_cell_angle_gamma 31.97823
_cell_volume 166.18180
_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 0.69867 0.19867 0.50000 1.00000
Th2 Th 0.30353 0.80353 0.50000 1.00000
Th3 Th 0.99718 0.99718 0.00000 1.00000
Zn1 Zn 0.86311 0.36311 0.50000 1.00000
Zn2 Zn 0.13864 0.63864 0.50000 1.00000
Zn3 Zn 0.43211 0.43211 0.00000 1.00000
Ag1 Ag 0.56577 0.56577 0.00000 1.00000
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