Li4Ni3RuO8
Alexandria ALEXAlex-ID: agm011674512 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_84_spg12
Li3Ni2RuO6 LiNi5O6 Li4NiRuO6
2024-12-19 06:22:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011674512).
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
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# CIF generated by HEAS from Alexandria entry agm011674512
data_agm011674512
_cell_length_a 5.95141
_cell_length_b 5.95141
_cell_length_c 5.16382
_cell_angle_alpha 72.40046
_cell_angle_beta 107.59954
_cell_angle_gamma 120.20825
_cell_volume 148.13658
_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
Li1 Li 0.50000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.50000 0.50000 1.00000
Li3 Li 0.74202 0.25798 0.00982 1.00000
Li4 Li 0.25798 0.74202 0.99018 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.25648 0.25648 0.00000 1.00000
Ni3 Ni 0.74352 0.74352 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
O1 O 0.35493 0.11667 0.73705 1.00000
O2 O 0.88333 0.64507 0.73705 1.00000
O3 O 0.61413 0.38587 0.24784 1.00000
O4 O 0.11148 0.88852 0.25717 1.00000
O5 O 0.64507 0.88333 0.26295 1.00000
O6 O 0.11667 0.35493 0.26295 1.00000
O7 O 0.88852 0.11148 0.74283 1.00000
O8 O 0.38587 0.61413 0.75216 1.00000
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