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Li2Dy(InAg)2

Alexandria ALEX

Alex-ID: agm024648964 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Li2Dy(InAg)2
Alex-ID
agm024648964
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
142.45
ų
Cell a
4.8243
Å
Cell b
4.8243
Å
Cell c
7.6073
Å
α angle
71.31
°
β angle
108.69
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Li2Dy(InAg)2
Li
2.00 · 28.6%
Dy
1.00 · 14.3%
In
2.00 · 28.6%
Ag
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0076
eV/atom
Formation energy
-0.3233
eV/atom
Corrected total energy
-21.9364
eV
Raw total energy
-21.9364
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.0149
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_16_spg166

Decomposition

DyInAg Li2InAg

Computed at

2025-04-18 11:22:34

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024648964).

Reference

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

BibTeX 
@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…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm024648964
data_agm024648964
_cell_length_a     4.82431
_cell_length_b     4.82431
_cell_length_c     7.60730
_cell_angle_alpha  71.30530
_cell_angle_beta   108.69470
_cell_angle_gamma  119.99731
_cell_volume       142.44639
_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 0.84940 0.15060 0.54880 1.00000
  Li2 Li 0.15060 0.84940 0.45120 1.00000
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  In1 In 0.42625 0.57375 0.27676 1.00000
  In2 In 0.57375 0.42625 0.72324 1.00000
  Ag1 Ag 0.27182 0.72818 0.81728 1.00000
  Ag2 Ag 0.72818 0.27182 0.18272 1.00000
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