Cs5LiNi(GeO4)2
Alexandria ALEXAlex-ID: agm010369201 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5E8_2_spg15
Cs5LiNi(GeO4)2
2024-08-25 00:07:11.069782
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010369201).
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 agm010369201
data_agm010369201
_cell_length_a 7.23245
_cell_length_b 7.23245
_cell_length_c 14.76786
_cell_angle_alpha 82.00453
_cell_angle_beta 82.00453
_cell_angle_gamma 99.19058
_cell_volume 744.80154
_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 0.36539 0.63461 0.75000 1.00000
Cs2 Cs 0.10083 0.46716 0.34851 1.00000
Cs3 Cs 0.63461 0.36539 0.25000 1.00000
Cs4 Cs 0.89917 0.53284 0.65149 1.00000
Cs5 Cs 0.04284 0.75045 0.07091 1.00000
Cs6 Cs 0.46716 0.10083 0.84851 1.00000
Cs7 Cs 0.24955 0.95716 0.42909 1.00000
Cs8 Cs 0.75045 0.04284 0.57091 1.00000
Cs9 Cs 0.53284 0.89917 0.15149 1.00000
Cs10 Cs 0.95716 0.24955 0.92909 1.00000
Li1 Li 0.95979 0.04021 0.25000 1.00000
Li2 Li 0.04021 0.95979 0.75000 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.28017 0.21494 0.63241 1.00000
Ge2 Ge 0.78506 0.71983 0.86759 1.00000
Ge3 Ge 0.71983 0.78506 0.36759 1.00000
Ge4 Ge 0.21494 0.28017 0.13241 1.00000
O1 O 0.52331 0.33520 0.62193 1.00000
O2 O 0.75531 0.86570 0.76550 1.00000
O3 O 0.86570 0.75531 0.26550 1.00000
O4 O 0.76045 0.65023 0.47460 1.00000
O5 O 0.23955 0.34977 0.52540 1.00000
O6 O 0.13430 0.24469 0.73450 1.00000
O7 O 0.33520 0.52331 0.12193 1.00000
O8 O 0.75745 0.03439 0.36504 1.00000
O9 O 0.96561 0.24255 0.13496 1.00000
O10 O 0.47669 0.66480 0.37807 1.00000
O11 O 0.24469 0.13430 0.23450 1.00000
O12 O 0.03439 0.75745 0.86504 1.00000
O13 O 0.65023 0.76045 0.97460 1.00000
O14 O 0.24255 0.96561 0.63496 1.00000
O15 O 0.66480 0.47669 0.87807 1.00000
O16 O 0.34977 0.23955 0.02540 1.00000
