Sr3(ZnGa)2
Alexandria ALEXAlex-ID: agm011761861 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_30_spg166
SrZnGa Sr8Ga7 SrZn2
2025-04-19 22:13:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011761861).
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
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# CIF generated by HEAS from Alexandria entry agm011761861
data_agm011761861
_cell_length_a 6.34488
_cell_length_b 6.34488
_cell_length_c 7.93203
_cell_angle_alpha 70.11015
_cell_angle_beta 109.88985
_cell_angle_gamma 136.79445
_cell_volume 203.45368
_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 0.31976 0.68024 0.86547 1.00000
Sr2 Sr 0.68024 0.31976 0.13453 1.00000
Sr3 Sr 0.50000 0.50000 0.50000 1.00000
Zn1 Zn 0.80652 0.19348 0.56967 1.00000
Zn2 Zn 0.19348 0.80652 0.43033 1.00000
Ga1 Ga 0.98018 0.01982 0.16089 1.00000
Ga2 Ga 0.01982 0.98018 0.83911 1.00000
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