Ba2In3Ag
Alexandria ALEXAlex-ID: agm003428014 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_769_spg69
BaAg2 BaIn2
2022-02-12 13:17:51.670822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003428014).
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 agm003428014
data_agm003428014
_cell_length_a 6.75635
_cell_length_b 6.75635
_cell_length_c 10.32411
_cell_angle_alpha 112.25031
_cell_angle_beta 112.25031
_cell_angle_gamma 80.95490
_cell_volume 403.65399
_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 0.75000 0.25000 0.50000 1.00000
Ba2 Ba 0.74160 0.25840 0.00000 1.00000
Ba3 Ba 0.25000 0.75000 0.50000 1.00000
Ba4 Ba 0.25840 0.74160 0.00000 1.00000
In1 In 0.83322 0.83322 0.17024 1.00000
In2 In 0.66298 0.66298 0.82976 1.00000
In3 In 0.16678 0.16678 0.82976 1.00000
In4 In 0.33702 0.33702 0.17024 1.00000
In5 In 0.16873 0.16873 0.33747 1.00000
In6 In 0.83127 0.83127 0.66253 1.00000
Ag1 Ag 0.66746 0.66746 0.33492 1.00000
Ag2 Ag 0.33254 0.33254 0.66508 1.00000
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