Ba2YAgO5
Alexandria ALEXAlex-ID: agm005150148 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
Ba2AgO3 BaO3 Ba(AgO2)2 Y2O3
2023-01-17 17:12:08.861790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005150148).
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 agm005150148
data_agm005150148
_cell_length_a 3.63843
_cell_length_b 7.27488
_cell_length_c 12.07935
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.48152
_cell_volume 309.57160
_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 0.85031 0.70063 0.80101 1.00000
Ba2 Ba 0.09239 0.18478 0.68225 1.00000
Ba3 Ba 0.14969 0.29937 0.30101 1.00000
Ba4 Ba 0.90761 0.81522 0.18225 1.00000
Y1 Y 0.79199 0.58397 0.52275 1.00000
Y2 Y 0.20801 0.41603 0.02275 1.00000
Ag1 Ag 0.52172 0.04344 0.94783 1.00000
Ag2 Ag 0.47828 0.95656 0.44783 1.00000
O1 O 0.37444 0.74888 0.98726 1.00000
O2 O 0.66824 0.33648 0.89933 1.00000
O3 O 0.48313 0.96627 0.78090 1.00000
O4 O 0.27195 0.54390 0.63902 1.00000
O5 O 0.94147 0.88294 0.56363 1.00000
O6 O 0.62556 0.25112 0.48726 1.00000
O7 O 0.33176 0.66352 0.39933 1.00000
O8 O 0.51687 0.03373 0.28090 1.00000
O9 O 0.72805 0.45610 0.13902 1.00000
O10 O 0.05853 0.11706 0.06363 1.00000
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