LiTm2AlO5
Alexandria ALEXAlex-ID: agm005145592 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_70_spg127
LiAlO2 Tm2O3
2023-01-09 14:00:14.786993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005145592).
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 agm005145592
data_agm005145592
_cell_length_a 5.52280
_cell_length_b 6.29138
_cell_length_c 6.29138
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 218.60038
_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 0.00000 0.50000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.67844 0.17844 1.00000
Tm2 Tm 0.50000 0.17844 0.32156 1.00000
Tm3 Tm 0.50000 0.82156 0.67844 1.00000
Tm4 Tm 0.50000 0.32156 0.82156 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.00000 0.50000 0.00000 1.00000
O1 O 0.50000 0.50000 0.50000 1.00000
O2 O 0.50000 0.00000 0.00000 1.00000
O3 O 0.23712 0.13838 0.63838 1.00000
O4 O 0.23712 0.86162 0.36162 1.00000
O5 O 0.23712 0.36162 0.13838 1.00000
O6 O 0.23712 0.63838 0.86162 1.00000
O7 O 0.76288 0.13838 0.63838 1.00000
O8 O 0.76288 0.63838 0.86162 1.00000
O9 O 0.76288 0.86162 0.36162 1.00000
O10 O 0.76288 0.36162 0.13838 1.00000
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