Zn3(SnRu)2
Alexandria ALEXAlex-ID: agm005245210 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1610_spg62
Zn3(SnRu)2
2023-05-12 10:52:48.645341
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245210).
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 agm005245210
data_agm005245210
_cell_length_a 4.18131
_cell_length_b 8.29516
_cell_length_c 13.86983
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 481.06969
_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 0.75000 0.96609 0.45905 1.00000
Zn2 Zn 0.75000 0.46609 0.04095 1.00000
Zn3 Zn 0.25000 0.03391 0.54095 1.00000
Zn4 Zn 0.25000 0.53391 0.95905 1.00000
Zn5 Zn 0.75000 0.65690 0.36953 1.00000
Zn6 Zn 0.75000 0.15690 0.13047 1.00000
Zn7 Zn 0.25000 0.34310 0.63047 1.00000
Zn8 Zn 0.25000 0.84310 0.86953 1.00000
Zn9 Zn 0.75000 0.41041 0.24357 1.00000
Zn10 Zn 0.75000 0.91041 0.25643 1.00000
Zn11 Zn 0.25000 0.58959 0.75643 1.00000
Zn12 Zn 0.25000 0.08959 0.74357 1.00000
Sn1 Sn 0.75000 0.84530 0.69515 1.00000
Sn2 Sn 0.75000 0.34530 0.80485 1.00000
Sn3 Sn 0.25000 0.15470 0.30485 1.00000
Sn4 Sn 0.25000 0.65470 0.19515 1.00000
Sn5 Sn 0.75000 0.35207 0.47693 1.00000
Sn6 Sn 0.75000 0.85207 0.02307 1.00000
Sn7 Sn 0.25000 0.64793 0.52307 1.00000
Sn8 Sn 0.25000 0.14793 0.97693 1.00000
Ru1 Ru 0.75000 0.54129 0.64435 1.00000
Ru2 Ru 0.75000 0.04129 0.85565 1.00000
Ru3 Ru 0.25000 0.45871 0.35565 1.00000
Ru4 Ru 0.25000 0.95871 0.14435 1.00000
Ru5 Ru 0.75000 0.15039 0.63128 1.00000
Ru6 Ru 0.75000 0.65039 0.86872 1.00000
Ru7 Ru 0.25000 0.84961 0.36872 1.00000
Ru8 Ru 0.25000 0.34961 0.13128 1.00000
