LiEr4Tl7
Alexandria ALEXAlex-ID: agm003667531 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
LiEr2Tl3 ErTl2
2022-04-20 10:50:22.039961
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667531).
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 agm003667531
data_agm003667531
_cell_length_a 5.31875
_cell_length_b 9.30912
_cell_length_c 7.81251
_cell_angle_alpha 80.67609
_cell_angle_beta 70.09876
_cell_angle_gamma 73.40084
_cell_volume 347.66027
_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 0.00000 0.00000 1.00000
Er1 Er 0.57728 0.21033 0.63512 1.00000
Er2 Er 0.42272 0.78967 0.36488 1.00000
Er3 Er 0.70974 0.65818 0.92234 1.00000
Er4 Er 0.29026 0.34182 0.07766 1.00000
Tl1 Tl 0.78169 0.87118 0.56544 1.00000
Tl2 Tl 0.21831 0.12882 0.43456 1.00000
Tl3 Tl 0.07189 0.69149 0.16473 1.00000
Tl4 Tl 0.92811 0.30851 0.83527 1.00000
Tl5 Tl 0.36262 0.56722 0.70754 1.00000
Tl6 Tl 0.50000 0.00000 0.00000 1.00000
Tl7 Tl 0.63738 0.43278 0.29246 1.00000
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