Pa2Zn2Si
Alexandria ALEXAlex-ID: agm003406275 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
Pa7Si Pa2Zn17 Pa3Si2
2022-02-11 23:28:16.944813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003406275).
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 agm003406275
data_agm003406275
_cell_length_a 3.62079
_cell_length_b 3.62079
_cell_length_c 8.53772
_cell_angle_alpha 102.24231
_cell_angle_beta 102.24231
_cell_angle_gamma 90.00000
_cell_volume 106.77905
_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
Pa1 Pa 0.41134 0.41134 0.82269 1.00000
Pa2 Pa 0.58866 0.58866 0.17731 1.00000
Zn1 Zn 0.75000 0.25000 0.50000 1.00000
Zn2 Zn 0.25000 0.75000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
