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Dy12Tm7Pb

Alexandria ALEX

Alex-ID: agm005809372 · Space group: R-3 (#148)

Alexandria Database API

Basic Information

Formula
Dy12Tm7Pb
Alex-ID
agm005809372
Elements
3
Sites
20
Space group
R-3 (#148)
Crystal system
trigonal
Volume
630.77
ų
Cell a
8.5785
Å
Cell b
8.5785
Å
Cell c
8.5785
Å
α angle
88.64
°
β angle
88.64
°
γ angle
88.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy12Tm7Pb
Dy
12.00 · 60.0%
Tm
7.00 · 35.0%
Pb
1.00 · 5.0%

Energy & Stability

Energy above hull
0.2375
eV/atom
Formation energy
0.1615
eV/atom
Corrected total energy
-87.0240
eV
Raw total energy
-87.0240
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
36.5136
Total magnetisation
0.0007
μB

Additional Information

Prototype ID

AB7C12_23_spg148

Decomposition

Dy5Tm DyTm5 Dy5Pb3

Computed at

2023-07-15 18:47:00.458514

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: agm005809372).

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 agm005809372
data_agm005809372
_cell_length_a     8.57850
_cell_length_b     8.57850
_cell_length_c     8.57850
_cell_angle_alpha  88.63669
_cell_angle_beta   88.63672
_cell_angle_gamma  88.63667
_cell_volume       630.77040
_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 0.86822 0.26354 0.74129 1.00000
  Dy2 Dy 0.73646 0.25871 0.13178 1.00000
  Dy3 Dy 0.61689 0.14416 0.49961 1.00000
  Dy4 Dy 0.85584 0.50039 0.38311 1.00000
  Dy5 Dy 0.25871 0.13178 0.73646 1.00000
  Dy6 Dy 0.50039 0.38311 0.85584 1.00000
  Dy7 Dy 0.49961 0.61689 0.14416 1.00000
  Dy8 Dy 0.74129 0.86822 0.26354 1.00000
  Dy9 Dy 0.14416 0.49961 0.61689 1.00000
  Dy10 Dy 0.38311 0.85584 0.50039 1.00000
  Dy11 Dy 0.26354 0.74129 0.86822 1.00000
  Dy12 Dy 0.13178 0.73646 0.25871 1.00000
  Tm1 Tm 0.85261 0.61547 0.94040 1.00000
  Tm2 Tm 0.38453 0.05960 0.14739 1.00000
  Tm3 Tm 0.05960 0.14739 0.38453 1.00000
  Tm4 Tm 0.50000 0.50000 0.50000 1.00000
  Tm5 Tm 0.94040 0.85261 0.61547 1.00000
  Tm6 Tm 0.61547 0.94040 0.85261 1.00000
  Tm7 Tm 0.14739 0.38453 0.05960 1.00000
  Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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