Ba4CoSi4NiO14
Alexandria ALEXAlex-ID: agm010702012 · Space group: P-4 (#81)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D4E14_3_spg81
Ba2CoSi2O7 BaSiO3 NiO
2024-07-24 14:21:47.551358
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010702012).
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 agm010702012
data_agm010702012
_cell_length_a 8.26301
_cell_length_b 8.26301
_cell_length_c 5.52876
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 377.48880
_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 0.33447 0.83479 0.49101 1.00000
Ba2 Ba 0.16521 0.33447 0.50899 1.00000
Ba3 Ba 0.66553 0.16521 0.49101 1.00000
Ba4 Ba 0.83479 0.66553 0.50899 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
Si1 Si 0.13492 0.63969 0.04639 1.00000
Si2 Si 0.36031 0.13492 0.95361 1.00000
Si3 Si 0.86508 0.36031 0.04639 1.00000
Si4 Si 0.63969 0.86508 0.95361 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
O1 O 0.50000 0.00000 0.85869 1.00000
O2 O 0.00000 0.50000 0.14131 1.00000
O3 O 0.30505 0.58128 0.17792 1.00000
O4 O 0.69495 0.41872 0.17792 1.00000
O5 O 0.58128 0.69495 0.82208 1.00000
O6 O 0.41872 0.30505 0.82208 1.00000
O7 O 0.19390 0.07473 0.81097 1.00000
O8 O 0.80610 0.92527 0.81097 1.00000
O9 O 0.92527 0.19390 0.18903 1.00000
O10 O 0.07473 0.80610 0.18903 1.00000
O11 O 0.13686 0.64508 0.75379 1.00000
O12 O 0.35492 0.13686 0.24621 1.00000
O13 O 0.86314 0.35492 0.75379 1.00000
O14 O 0.64508 0.86314 0.24621 1.00000
