BaSr2Pt
Alexandria ALEXAlex-ID: agm005602497 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_844_spg9
Sr4Pt Sr7Pt3 Ba3Pt
2023-07-13 14:19:36.255475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602497).
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 agm005602497
data_agm005602497
_cell_length_a 7.56780
_cell_length_b 7.56780
_cell_length_c 8.44664
_cell_angle_alpha 90.74338
_cell_angle_beta 116.06004
_cell_angle_gamma 119.68224
_cell_volume 360.70490
_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
Ba1 Ba 0.89953 0.52709 0.59357 1.00000
Ba2 Ba 0.56647 0.69404 0.09357 1.00000
Sr1 Sr 0.21906 0.18327 0.59946 1.00000
Sr2 Sr 0.56300 0.87927 0.59681 1.00000
Sr3 Sr 0.91619 0.38040 0.09946 1.00000
Sr4 Sr 0.21753 0.03380 0.09681 1.00000
Pt1 Pt 0.05883 0.27200 0.84652 1.00000
Pt2 Pt 0.07452 0.78769 0.34652 1.00000
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