Cs4K2Si2NiO8
Alexandria ALEXAlex-ID: agm010766720 · Space group: P4_2/mnm (#136)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4E8_3_spg136
Cs6Si2NiO8 K6Si2O7 NiO
2024-08-25 00:02:28.977463
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010766720).
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 agm010766720
data_agm010766720
_cell_length_a 10.62429
_cell_length_b 10.62429
_cell_length_c 6.18493
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 698.12734
_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
Cs1 Cs 0.38725 0.86028 0.00000 1.00000
Cs2 Cs 0.61275 0.13972 0.00000 1.00000
Cs3 Cs 0.86028 0.38725 0.00000 1.00000
Cs4 Cs 0.88725 0.63972 0.50000 1.00000
Cs5 Cs 0.13972 0.61275 0.00000 1.00000
Cs6 Cs 0.36028 0.11275 0.50000 1.00000
Cs7 Cs 0.11275 0.36028 0.50000 1.00000
Cs8 Cs 0.63972 0.88725 0.50000 1.00000
K1 K 0.89680 0.10320 0.50000 1.00000
K2 K 0.39680 0.39680 0.00000 1.00000
K3 K 0.60320 0.60320 0.00000 1.00000
K4 K 0.10320 0.89680 0.50000 1.00000
Si1 Si 0.82357 0.82357 0.00000 1.00000
Si2 Si 0.32357 0.67643 0.50000 1.00000
Si3 Si 0.17643 0.17643 0.00000 1.00000
Si4 Si 0.67643 0.32357 0.50000 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
O1 O 0.89744 0.89744 0.20652 1.00000
O2 O 0.10256 0.10256 0.79348 1.00000
O3 O 0.85169 0.67113 0.00000 1.00000
O4 O 0.60256 0.39744 0.29348 1.00000
O5 O 0.82887 0.35169 0.50000 1.00000
O6 O 0.60256 0.39744 0.70652 1.00000
O7 O 0.39744 0.60256 0.29348 1.00000
O8 O 0.64831 0.17113 0.50000 1.00000
O9 O 0.67113 0.85169 0.00000 1.00000
O10 O 0.89744 0.89744 0.79348 1.00000
O11 O 0.14831 0.32887 0.00000 1.00000
O12 O 0.10256 0.10256 0.20652 1.00000
O13 O 0.35169 0.82887 0.50000 1.00000
O14 O 0.39744 0.60256 0.70652 1.00000
O15 O 0.32887 0.14831 0.00000 1.00000
O16 O 0.17113 0.64831 0.50000 1.00000
