Ba2SrY2Co(NiO5)2
Alexandria ALEXAlex-ID: agm010359253 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E2F10_15_spg8
Ba2CoO4 SrO Y2O3 NiO
2025-03-05 08:05:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010359253).
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 agm010359253
data_agm010359253
_cell_length_a 6.90340
_cell_length_b 6.90340
_cell_length_c 7.23941
_cell_angle_alpha 74.83157
_cell_angle_beta 105.16843
_cell_angle_gamma 129.97742
_cell_volume 253.11920
_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 0.50045 0.49955 0.50398 1.00000
Ba2 Ba 0.35135 0.64865 0.96899 1.00000
Sr1 Sr 0.64935 0.35065 0.04851 1.00000
Y1 Y 0.81245 0.18755 0.62648 1.00000
Y2 Y 0.18646 0.81354 0.37184 1.00000
Co1 Co 0.99990 0.00010 0.99924 1.00000
Ni1 Ni 0.09754 0.90246 0.73215 1.00000
Ni2 Ni 0.90259 0.09741 0.26530 1.00000
O1 O 0.20170 0.24391 0.79494 1.00000
O2 O 0.75609 0.79830 0.79494 1.00000
O3 O 0.80081 0.75175 0.20487 1.00000
O4 O 0.24825 0.19919 0.20487 1.00000
O5 O 0.84466 0.15534 0.97546 1.00000
O6 O 0.15196 0.84804 0.02320 1.00000
O7 O 0.95311 0.58264 0.63398 1.00000
O8 O 0.41736 0.04689 0.63398 1.00000
O9 O 0.04298 0.41763 0.35861 1.00000
O10 O 0.58237 0.95702 0.35861 1.00000
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