Sr6CaZn2
Alexandria ALEXAlex-ID: agm005808480 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_712_spg71
CaZn Sr2Zn Sr
2023-07-06 14:39:34.934949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808480).
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 agm005808480
data_agm005808480
_cell_length_a 10.05959
_cell_length_b 10.05959
_cell_length_c 10.05958
_cell_angle_alpha 104.23046
_cell_angle_beta 113.24349
_cell_angle_gamma 111.07182
_cell_volume 778.47702
_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 0.52277 0.81369 0.70908 1.00000
Sr2 Sr 0.47723 0.18631 0.29092 1.00000
Sr3 Sr 0.10462 0.81369 0.29092 1.00000
Sr4 Sr 0.89538 0.18631 0.70908 1.00000
Sr5 Sr 0.79594 0.04013 0.24419 1.00000
Sr6 Sr 0.20406 0.95987 0.75581 1.00000
Sr7 Sr 0.20406 0.44825 0.24419 1.00000
Sr8 Sr 0.79594 0.55175 0.75581 1.00000
Sr9 Sr 0.68549 0.32754 0.01303 1.00000
Sr10 Sr 0.31451 0.67246 0.98697 1.00000
Sr11 Sr 0.31451 0.32754 0.64205 1.00000
Sr12 Sr 0.68549 0.67246 0.35795 1.00000
Ca1 Ca 0.00000 0.50000 0.50000 1.00000
Ca2 Ca 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.10969 0.60969 1.00000
Zn2 Zn 0.50000 0.89031 0.39031 1.00000
Zn3 Zn 0.67965 0.67965 0.00000 1.00000
Zn4 Zn 0.32035 0.32035 1.00000 1.00000
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