Li(Er3Ag4)2
Alexandria ALEXAlex-ID: agm072575689 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_452_spg148
ErAg2 ErAg LiAg
2024-10-06 17:08:01.369504
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072575689).
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 agm072575689
data_agm072575689
_cell_length_a 6.20487
_cell_length_b 7.88041
_cell_length_c 8.00415
_cell_angle_alpha 113.69097
_cell_angle_beta 99.44636
_cell_angle_gamma 104.03379
_cell_volume 332.28722
_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 0.93558 0.12320 0.19702 1.00000
Er1 Er 0.35498 0.37684 0.09723 1.00000
Er2 Er 0.69040 0.54083 0.79637 1.00000
Er3 Er 0.22839 0.86047 0.23024 1.00000
Er4 Er 0.86770 0.11596 0.61305 1.00000
Er5 Er 0.50876 0.94154 0.90135 1.00000
Er6 Er 0.98565 0.63074 0.47407 1.00000
Ag1 Ag 0.25973 0.35478 0.48721 1.00000
Ag2 Ag 0.61783 0.23656 0.34159 1.00000
Ag3 Ag 0.51897 0.72306 0.50177 1.00000
Ag4 Ag 0.36399 0.11150 0.66557 1.00000
Ag5 Ag 0.01116 0.93285 0.86350 1.00000
Ag6 Ag 0.69320 0.77852 0.19794 1.00000
Ag7 Ag 0.84564 0.36716 0.03542 1.00000
Ag8 Ag 0.19052 0.55618 0.84816 1.00000
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