Ba3SrPt
Alexandria ALEXAlex-ID: agm005736655 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2325_spg12
Sr4Pt Ba6Pt Ba3Pt
2023-07-05 21:18:41.337778
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005736655).
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 agm005736655
data_agm005736655
_cell_length_a 7.41740
_cell_length_b 9.25836
_cell_length_c 8.93998
_cell_angle_alpha 58.81525
_cell_angle_beta 89.95594
_cell_angle_gamma 90.00142
_cell_volume 525.22200
_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 0.96520 0.49023 0.24126 1.00000
Ba2 Ba 0.93517 0.48415 0.75088 1.00000
Ba3 Ba 0.41887 0.15947 0.89775 1.00000
Ba4 Ba 0.44892 0.16552 0.38813 1.00000
Ba5 Ba 0.96518 0.98772 0.24125 1.00000
Ba6 Ba 0.41888 0.66199 0.89778 1.00000
Sr1 Sr 0.94519 0.98053 0.75808 1.00000
Sr2 Sr 0.43889 0.66914 0.38095 1.00000
Pt1 Pt 0.19205 0.32485 0.06951 1.00000
Pt2 Pt 0.19203 0.82485 0.06953 1.00000
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