Sr2Zr(ZnPt)2
Alexandria ALEXAlex-ID: agm024756570 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
ZrZnPt Sr2ZnPt
2025-04-19 22:41:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024756570).
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 agm024756570
data_agm024756570
_cell_length_a 4.46144
_cell_length_b 4.46144
_cell_length_c 11.20356
_cell_angle_alpha 78.65536
_cell_angle_beta 101.34464
_cell_angle_gamma 120.10404
_cell_volume 187.88453
_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 0.89422 0.10578 0.17666 1.00000
Sr2 Sr 0.10578 0.89422 0.82334 1.00000
Zr1 Zr 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.37650 0.62350 0.63236 1.00000
Zn2 Zn 0.62350 0.37650 0.36764 1.00000
Pt1 Pt 0.29089 0.70911 0.36905 1.00000
Pt2 Pt 0.70911 0.29089 0.63095 1.00000
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