Th3ZnNi5
Alexandria ALEXAlex-ID: agm072242012 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1099_spg8
ThZnNi ThZnNi2 Th3Ni5
2024-09-24 16:48:24.080168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072242012).
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 agm072242012
data_agm072242012
_cell_length_a 5.26144
_cell_length_b 5.33315
_cell_length_c 6.69217
_cell_angle_alpha 108.85833
_cell_angle_beta 108.24250
_cell_angle_gamma 92.92685
_cell_volume 166.33231
_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 0.94277 0.58245 0.42795 1.00000
Th2 Th 0.51064 0.08913 0.48704 1.00000
Th3 Th 0.49804 0.70114 0.89683 1.00000
Zn1 Zn 0.04964 0.09465 0.97457 1.00000
Ni1 Ni 0.00227 0.57435 0.97326 1.00000
Ni2 Ni 0.11165 0.20192 0.67051 1.00000
Ni3 Ni 0.92656 0.00645 0.26413 1.00000
Ni4 Ni 0.39880 0.51904 0.30736 1.00000
Ni5 Ni 0.55966 0.23084 0.99835 1.00000
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