Ba(Sr2Si)4
Alexandria ALEXAlex-ID: agm097488985 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1989_spg6
Sr2Si Ba
2025-06-18 21:41:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097488985).
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 agm097488985
data_agm097488985
_cell_length_a 4.25325
_cell_length_b 13.32624
_cell_length_c 12.65573
_cell_angle_alpha 49.27552
_cell_angle_beta 89.97338
_cell_angle_gamma 90.05358
_cell_volume 543.62793
_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 0.42586 0.92331 0.89326 1.00000
Sr1 Sr 0.92334 0.23409 0.12956 1.00000
Sr2 Sr 0.42297 0.57120 0.30721 1.00000
Sr3 Sr 0.42196 0.66425 0.58943 1.00000
Sr4 Sr 0.41963 0.32257 0.73000 1.00000
Sr5 Sr 0.92350 0.88970 0.24632 1.00000
Sr6 Sr 0.42297 0.22723 0.41162 1.00000
Sr7 Sr 0.42417 0.57888 0.96397 1.00000
Sr8 Sr 0.92294 0.90560 0.59342 1.00000
Si1 Si 0.92428 0.67899 0.06051 1.00000
Si2 Si 0.92351 0.44641 0.20822 1.00000
Si3 Si 0.92172 0.55454 0.51155 1.00000
Si4 Si 0.42316 0.00323 0.35491 1.00000
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