Li7Cr4RhO12
Alexandria ALEXAlex-ID: agm021298534 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7D12_17_spg1
Li3CrO4 Li2RhO3 LiCrO2
2024-08-14 10:55:52.566082
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021298534).
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 agm021298534
data_agm021298534
_cell_length_a 5.12006
_cell_length_b 5.92172
_cell_length_c 7.80465
_cell_angle_alpha 79.28680
_cell_angle_beta 77.74633
_cell_angle_gamma 73.21636
_cell_volume 219.41945
_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 0.49472 0.83926 0.16946 1.00000
Li2 Li 0.49407 0.31962 0.17193 1.00000
Li3 Li 0.50633 0.49807 0.49276 1.00000
Li4 Li 0.49140 0.00869 0.48978 1.00000
Li5 Li 0.49835 0.16139 0.83896 1.00000
Li6 Li 0.50645 0.66586 0.83762 1.00000
Li7 Li 0.00472 0.16477 0.32846 1.00000
Cr1 Cr 0.00303 0.00041 0.00405 1.00000
Cr2 Cr 0.99571 0.67365 0.33154 1.00000
Cr3 Cr 0.00408 0.49537 0.00554 1.00000
Cr4 Cr 0.99666 0.83778 0.66301 1.00000
Rh1 Rh 0.99753 0.33394 0.66302 1.00000
O1 O 0.23536 0.17241 0.07536 1.00000
O2 O 0.22962 0.67120 0.08961 1.00000
O3 O 0.22163 0.81902 0.42103 1.00000
O4 O 0.22808 0.35489 0.42029 1.00000
O5 O 0.22420 0.50991 0.75311 1.00000
O6 O 0.22981 0.99962 0.75196 1.00000
O7 O 0.78260 0.51153 0.24755 1.00000
O8 O 0.77306 0.97907 0.24675 1.00000
O9 O 0.76559 0.16097 0.59221 1.00000
O10 O 0.76459 0.67049 0.57538 1.00000
O11 O 0.77993 0.82529 0.91238 1.00000
O12 O 0.77249 0.32678 0.91825 1.00000
