Ba3Sr5Ga2(Cu2O9)2
Alexandria ALEXAlex-ID: agm010295484 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D5E18_1_spg1
Ba2SrO6 Sr4Cu2O7 Ba(CuO2)2 Ba3Ga4O9
2024-05-31 14:35:13.554705
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010295484).
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 agm010295484
data_agm010295484
_cell_length_a 3.96101
_cell_length_b 7.54600
_cell_length_c 16.16602
_cell_angle_alpha 85.02386
_cell_angle_beta 82.97512
_cell_angle_gamma 89.75241
_cell_volume 477.75456
_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 0.76544 0.82212 0.59751 1.00000
Ba2 Ba 0.66691 0.32478 0.62054 1.00000
Ba3 Ba 0.26632 0.17194 0.39859 1.00000
Sr1 Sr 0.59133 0.27669 0.85635 1.00000
Sr2 Sr 0.59017 0.77904 0.85412 1.00000
Sr3 Sr 0.44896 0.72357 0.14556 1.00000
Sr4 Sr 0.44736 0.22344 0.14894 1.00000
Sr5 Sr 0.35538 0.68235 0.37126 1.00000
Ga1 Ga 0.10457 0.00076 0.00131 1.00000
Ga2 Ga 0.10506 0.50078 0.00137 1.00000
Cu1 Cu 0.13162 0.55040 0.75060 1.00000
Cu2 Cu 0.13455 0.04368 0.74837 1.00000
Cu3 Cu 0.88704 0.45206 0.25368 1.00000
Cu4 Cu 0.88554 0.95501 0.25318 1.00000
O1 O 0.63464 0.55135 0.74200 1.00000
O2 O 0.64037 0.04619 0.73659 1.00000
O3 O 0.12933 0.29990 0.73395 1.00000
O4 O 0.16252 0.80082 0.72730 1.00000
O5 O 0.38012 0.45283 0.26444 1.00000
O6 O 0.37739 0.95037 0.26507 1.00000
O7 O 0.89101 0.70038 0.27332 1.00000
O8 O 0.86598 0.20024 0.27052 1.00000
O9 O 0.31712 0.74980 0.00078 1.00000
O10 O 0.31521 0.24932 0.00213 1.00000
O11 O 0.00676 0.52060 0.89237 1.00000
O12 O 0.01183 0.01991 0.89169 1.00000
O13 O 0.90154 0.48153 0.11079 1.00000
O14 O 0.89927 0.97822 0.11058 1.00000
O15 O 0.87454 0.53945 0.47885 1.00000
O16 O 0.69339 0.11433 0.50683 1.00000
O17 O 0.18081 0.47203 0.50319 1.00000
O18 O 0.33793 0.86611 0.48819 1.00000
