Ba3SrGe2
Alexandria ALEXAlex-ID: agm005602893 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_17_spg72
BaSrGe Ba2Ge
2023-08-18 04:20:48.009937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602893).
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 agm005602893
data_agm005602893
_cell_length_a 7.73168
_cell_length_b 7.55285
_cell_length_c 9.88406
_cell_angle_alpha 112.46208
_cell_angle_beta 113.02411
_cell_angle_gamma 90.00000
_cell_volume 483.27410
_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 0.40209 0.68944 0.37887 1.00000
Ba2 Ba 0.59791 0.31056 0.62113 1.00000
Ba3 Ba 0.02321 0.81056 0.62113 1.00000
Ba4 Ba 0.97679 0.18944 0.37887 1.00000
Ba5 Ba 0.50000 0.75000 0.00000 1.00000
Ba6 Ba 0.50000 0.25000 0.00000 1.00000
Sr1 Sr 0.00000 0.25000 0.00000 1.00000
Sr2 Sr 0.00000 0.75000 0.00000 1.00000
Ge1 Ge 0.35049 0.11675 0.23349 1.00000
Ge2 Ge 0.64951 0.88325 0.76651 1.00000
Ge3 Ge 0.11700 0.38325 0.76651 1.00000
Ge4 Ge 0.88300 0.61675 0.23349 1.00000
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