K7Ba3Sr2
Alexandria ALEXAlex-ID: agm024703151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_625_spg1
Ba15Sr K Sr
2025-05-16 21:45:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024703151).
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 agm024703151
data_agm024703151
_cell_length_a 7.12185
_cell_length_b 11.28463
_cell_length_c 11.08164
_cell_angle_alpha 87.56970
_cell_angle_beta 71.37902
_cell_angle_gamma 71.82902
_cell_volume 800.27371
_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
K1 K 0.12627 0.49996 0.49992 1.00000
K2 K 0.12862 0.81425 0.18192 1.00000
K3 K 0.87226 0.58548 0.91492 1.00000
K4 K 0.62744 0.66264 0.33663 1.00000
K5 K 0.62526 0.33733 0.66341 1.00000
K6 K 0.12388 0.18576 0.81818 1.00000
K7 K 0.37509 0.41460 0.08484 1.00000
Ba1 Ba 0.62554 0.99995 0.00003 1.00000
Ba2 Ba 0.35201 0.78630 0.75547 1.00000
Ba3 Ba 0.89587 0.21376 0.24457 1.00000
Sr1 Sr 0.86719 0.93285 0.57979 1.00000
Sr2 Sr 0.38058 0.06712 0.42032 1.00000
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