Ba8SrMg2
Alexandria ALEXAlex-ID: agm005862986 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_341_spg12
SrMg2 Ba
2023-10-20 10:15:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005862986).
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 agm005862986
data_agm005862986
_cell_length_a 6.40890
_cell_length_b 10.05315
_cell_length_c 10.67101
_cell_angle_alpha 67.10309
_cell_angle_beta 72.48167
_cell_angle_gamma 89.94169
_cell_volume 598.68411
_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 0.88391 0.51861 0.20266 1.00000
Ba2 Ba 0.18832 0.95328 0.59223 1.00000
Ba3 Ba 0.33966 0.76305 0.28803 1.00000
Ba4 Ba 0.44314 0.26530 0.08206 1.00000
Ba5 Ba 0.65949 0.23745 0.65137 1.00000
Ba6 Ba 0.81038 0.04726 0.34718 1.00000
Ba7 Ba 0.11532 0.48195 0.73669 1.00000
Ba8 Ba 0.55570 0.73527 0.85728 1.00000
Sr1 Sr 0.99934 0.00028 0.96969 1.00000
Mg1 Mg 0.27975 0.34900 0.41612 1.00000
Mg2 Mg 0.71965 0.65139 0.52335 1.00000
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