ZnNi6W
Alexandria ALEXAlex-ID: agm070199396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_313_spg2
ZnNi6W
2024-07-22 01:18:13.815310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070199396).
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 agm070199396
data_agm070199396
_cell_length_a 4.42174
_cell_length_b 4.42174
_cell_length_c 7.22399
_cell_angle_alpha 65.81102
_cell_angle_beta 65.81102
_cell_angle_gamma 47.98716
_cell_volume 93.79513
_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
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.75118 0.75118 0.37647 1.00000
Ni2 Ni 0.49905 0.49905 0.24702 1.00000
Ni3 Ni 0.75020 0.75020 0.87378 1.00000
Ni4 Ni 0.50095 0.50095 0.75298 1.00000
Ni5 Ni 0.24882 0.24882 0.62353 1.00000
Ni6 Ni 0.24980 0.24980 0.12622 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
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