ScZn2
Alexandria ALEXAlex-ID: agm003196403 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2_spg194
ScZn2
2021-12-03 05:14:07.500845
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003196403).
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 agm003196403
data_agm003196403
_cell_length_a 4.57803
_cell_length_b 4.57753
_cell_length_c 5.69755
_cell_angle_alpha 89.99869
_cell_angle_beta 90.00018
_cell_angle_gamma 120.00395
_cell_volume 103.39766
_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
Sc1 Sc 0.02776 0.05552 0.97515 1.00000
Sc2 Sc 0.69447 0.38894 0.58056 1.00000
Zn1 Zn 0.36113 0.72226 0.77768 1.00000
Zn2 Zn 0.02783 0.05565 0.46310 1.00000
Zn3 Zn 0.36108 0.72217 0.27760 1.00000
Zn4 Zn 0.69440 0.38879 0.09258 1.00000
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