SrAc2ZnO5
Alexandria ALEXAlex-ID: agm005145409 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_41_spg140
SrZnO2 Ac2O3
2023-01-17 16:58:13.880197
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005145409).
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 agm005145409
data_agm005145409
_cell_length_a 7.11817
_cell_length_b 7.11817
_cell_length_c 7.68126
_cell_angle_alpha 117.60327
_cell_angle_beta 117.60327
_cell_angle_gamma 90.00000
_cell_volume 293.99705
_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
Sr1 Sr 0.25000 0.25000 0.50000 1.00000
Sr2 Sr 0.75000 0.75000 0.50000 1.00000
Ac1 Ac 0.17323 0.32677 0.00000 1.00000
Ac2 Ac 0.67323 0.17323 0.00000 1.00000
Ac3 Ac 0.32677 0.82677 1.00000 1.00000
Ac4 Ac 0.82677 0.67323 0.00000 1.00000
Zn1 Zn 0.25000 0.75000 0.50000 1.00000
Zn2 Zn 0.75000 0.25000 0.50000 1.00000
O1 O 0.99012 0.49012 0.27565 1.00000
O2 O 0.71447 0.21447 0.72435 1.00000
O3 O 0.00988 0.50988 0.72435 1.00000
O4 O 0.21447 0.00988 0.72435 1.00000
O5 O 0.50988 0.71447 0.72435 1.00000
O6 O 0.78553 0.99012 0.27565 1.00000
O7 O 0.49012 0.28553 0.27565 1.00000
O8 O 0.28553 0.78553 0.27565 1.00000
O9 O 0.50000 0.50000 0.00000 1.00000
O10 O 0.00000 0.00000 0.00000 1.00000
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