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LaDy8Tm3

Alexandria ALEX

Alex-ID: agm017372584 · Space group: Pm (#6)

Basic Information

Formula
LaDy8Tm3
Alex-ID
agm017372584
Elements
3
Sites
12
Space group
Pm (#6)
Crystal system
monoclinic
Volume
378.77
ų
Cell a
8.8039
Å
Cell b
3.5791
Å
Cell c
12.3662
Å
α angle
90.00
°
β angle
103.58
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaDy8Tm3
La
1.00 · 8.3%
Dy
8.00 · 66.7%
Tm
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0062
eV/atom
Formation energy
0.0012
eV/atom
Corrected total energy
-55.1575
eV
Raw total energy
-55.1575
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0288
eV
DOS at Fermi level
16.1341
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB3C8_851_spg6

Decomposition

Dy5Tm DyTm5 LaDy4

Computed at

2025-02-05 12:25:39

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: agm017372584).

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 agm017372584
data_agm017372584
_cell_length_a     8.80388
_cell_length_b     3.57911
_cell_length_c     12.36619
_cell_angle_alpha  90.00000
_cell_angle_beta   103.57504
_cell_angle_gamma  90.00000
_cell_volume       378.77415
_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
  La1 La 0.24744 0.00000 0.79193 1.00000
  Dy1 Dy 0.58537 0.50000 0.93322 1.00000
  Dy2 Dy 0.58364 0.00000 0.68021 1.00000
  Dy3 Dy 0.91036 0.50000 0.65177 1.00000
  Dy4 Dy 0.91212 0.00000 0.40076 1.00000
  Dy5 Dy 0.24773 0.50000 0.53787 1.00000
  Dy6 Dy 0.24530 0.00000 0.29024 1.00000
  Dy7 Dy 0.24632 0.50000 0.04495 1.00000
  Dy8 Dy 0.58129 0.50000 0.42775 1.00000
  Tm1 Tm 0.91218 0.00000 0.90469 1.00000
  Tm2 Tm 0.58256 0.00000 0.18052 1.00000
  Tm3 Tm 0.91194 0.50000 0.15267 1.00000
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