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DyTm3Ag8

Alexandria ALEX

Alex-ID: agm017697570 · Space group: Immm (#71)

Basic Information

Formula
DyTm3Ag8
Alex-ID
agm017697570
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
253.77
ų
Cell a
7.4618
Å
Cell b
7.4618
Å
Cell c
7.4618
Å
α angle
138.88
°
β angle
103.56
°
γ angle
90.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyTm3Ag8
Dy
1.00 · 8.3%
Tm
3.00 · 25.0%
Ag
8.00 · 66.7%

Energy & Stability

Energy above hull
0.0019
eV/atom
Formation energy
-0.3230
eV/atom
Corrected total energy
-44.7038
eV
Raw total energy
-44.7038
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0178
eV
DOS at Fermi level
5.8645
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C8_192_spg139

Decomposition

DyTmAg4 TmAg2

Computed at

2025-02-28 09:57:51

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: agm017697570).

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 agm017697570
data_agm017697570
_cell_length_a     7.46176
_cell_length_b     7.46176
_cell_length_c     7.46176
_cell_angle_alpha  138.87755
_cell_angle_beta   103.55635
_cell_angle_gamma  90.70434
_cell_volume       253.76618
_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
  Dy1 Dy 0.50000 0.00000 0.50000 1.00000
  Tm1 Tm 0.24950 0.24950 0.00000 1.00000
  Tm2 Tm 0.75050 0.75050 0.00000 1.00000
  Tm3 Tm 0.00000 0.50000 0.50000 1.00000
  Ag1 Ag 0.66960 0.50000 0.16960 1.00000
  Ag2 Ag 0.16717 0.00000 0.16717 1.00000
  Ag3 Ag 0.33040 0.50000 0.83040 1.00000
  Ag4 Ag 0.83283 0.00000 0.83283 1.00000
  Ag5 Ag 0.92090 0.25164 0.66926 1.00000
  Ag6 Ag 0.58238 0.25164 0.33074 1.00000
  Ag7 Ag 0.07910 0.74836 0.33074 1.00000
  Ag8 Ag 0.41762 0.74836 0.66926 1.00000
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