Ba2Sr2H7
Alexandria ALEXAlex-ID: agm003323716 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_126_spg65
Ba SrH2 BaH2
2022-01-22 09:20:27.736749
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003323716).
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 agm003323716
data_agm003323716
_cell_length_a 6.05852
_cell_length_b 5.96141
_cell_length_c 6.05852
_cell_angle_alpha 90.00066
_cell_angle_beta 94.88330
_cell_angle_gamma 89.99934
_cell_volume 218.02374
_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 0.75070 0.50000 0.75070 1.00000
Ba2 Ba 0.24930 0.50000 0.24930 1.00000
Sr1 Sr 0.72578 0.00000 0.27422 1.00000
Sr2 Sr 0.27422 1.00000 0.72578 1.00000
H1 H 0.00001 0.24493 0.50003 1.00000
H2 H 0.50003 0.75507 0.00001 1.00000
H3 H 0.99999 0.75507 0.49997 1.00000
H4 H 0.49997 0.24493 0.99999 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
H6 H 0.50001 0.75887 0.49999 1.00000
H7 H 0.49999 0.24113 0.50001 1.00000
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