ThZn11Cu
Alexandria ALEXAlex-ID: agm005698183 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_0_spg12
Zn15Cu ThZn11 ThZn9Cu2
2023-06-29 14:38:20.249525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698183).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005698183
data_agm005698183
_cell_length_a 5.25396
_cell_length_b 6.80245
_cell_length_c 6.82203
_cell_angle_alpha 81.53297
_cell_angle_beta 67.35171
_cell_angle_gamma 67.51948
_cell_volume 207.91713
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.28229 0.22311 0.21884 1.00000
Zn2 Zn 0.71771 0.77689 0.78116 1.00000
Zn3 Zn 0.49887 0.77689 0.21884 1.00000
Zn4 Zn 0.50113 0.22311 0.78116 1.00000
Zn5 Zn 0.36702 0.64170 0.64888 1.00000
Zn6 Zn 0.63298 0.35830 0.35112 1.00000
Zn7 Zn 0.98410 0.35830 0.64888 1.00000
Zn8 Zn 0.01590 0.64170 0.35112 1.00000
Zn9 Zn 0.00000 0.50000 0.00000 1.00000
Zn10 Zn 0.50000 0.00000 0.50000 1.00000
Zn11 Zn 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
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