Li4Cr3InO8
Alexandria ALEXAlex-ID: agm045725059 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_36_spg2
LiInO2 LiCrO2
2024-12-22 03:26:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045725059).
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 agm045725059
data_agm045725059
_cell_length_a 5.20557
_cell_length_b 5.25414
_cell_length_c 6.07371
_cell_angle_alpha 90.15261
_cell_angle_beta 106.68431
_cell_angle_gamma 99.50611
_cell_volume 156.72140
_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 0.50951 0.25255 0.38308 1.00000
Li2 Li 0.49049 0.74745 0.61692 1.00000
Li3 Li 0.49990 0.26280 0.86614 1.00000
Li4 Li 0.50010 0.73720 0.13386 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
Cr2 Cr 0.00136 0.50134 0.74678 1.00000
Cr3 Cr 0.99864 0.49866 0.25322 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
O1 O 0.21978 0.36752 0.55345 1.00000
O2 O 0.78022 0.63248 0.44655 1.00000
O3 O 0.23272 0.86373 0.79218 1.00000
O4 O 0.76728 0.13627 0.20782 1.00000
O5 O 0.77037 0.13979 0.67890 1.00000
O6 O 0.22963 0.86021 0.32110 1.00000
O7 O 0.23086 0.39293 0.05718 1.00000
O8 O 0.76914 0.60707 0.94282 1.00000
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