BaSrI4
Alexandria ALEXAlex-ID: agm002189482 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
SrI2 BaI2
2018-06-18 04:19:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002189482).
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 agm002189482
data_agm002189482
_cell_length_a 8.22727
_cell_length_b 8.22735
_cell_length_c 10.06404
_cell_angle_alpha 114.14974
_cell_angle_beta 114.12516
_cell_angle_gamma 89.99912
_cell_volume 555.75412
_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
I1 I 0.50148 0.75520 0.99340 1.00000
I2 I 0.74482 0.50798 0.50659 1.00000
I3 I 0.26185 0.99856 0.50668 1.00000
I4 I 0.00795 0.76185 0.00666 1.00000
I5 I 0.99205 0.23815 0.99334 1.00000
I6 I 0.73815 0.00144 0.49332 1.00000
I7 I 0.25518 0.49202 0.49341 1.00000
I8 I 0.49852 0.24480 0.00660 1.00000
Sr1 Sr 0.37504 0.12502 0.25001 1.00000
Sr2 Sr 0.62496 0.87498 0.74999 1.00000
Ba1 Ba 0.12501 0.37502 0.75001 1.00000
Ba2 Ba 0.87499 0.62498 0.24999 1.00000
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