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Dy7Tm12Cd

Alexandria ALEX

Alex-ID: agm005805960 · Space group: P-1 (#2)

Basic Information

Formula
Dy7Tm12Cd
Alex-ID
agm005805960
Elements
3
Sites
20
Space group
P-1 (#2)
Crystal system
triclinic
Volume
615.86
ų
Cell a
8.6151
Å
Cell b
8.7758
Å
Cell c
9.3262
Å
α angle
63.87
°
β angle
83.62
°
γ angle
97.67
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7Tm12Cd
Dy
7.00 · 35.0%
Tm
12.00 · 60.0%
Cd
1.00 · 5.0%

Energy & Stability

Energy above hull
0.1114
eV/atom
Formation energy
0.0726
eV/atom
Corrected total energy
-85.3555
eV
Raw total energy
-85.3555
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
26.7749
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C12_99_spg2

Decomposition

Dy5Tm DyTm5 Dy2Cd

Computed at

2023-07-15 16:29:56.503551

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: agm005805960).

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 agm005805960
data_agm005805960
_cell_length_a     8.61509
_cell_length_b     8.77576
_cell_length_c     9.32617
_cell_angle_alpha  63.87241
_cell_angle_beta   83.62445
_cell_angle_gamma  97.66734
_cell_volume       615.85579
_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 0.91485 0.83717 0.77922 1.00000
  Dy2 Dy 0.32493 0.90045 0.13525 1.00000
  Dy3 Dy 0.20225 0.79439 0.51996 1.00000
  Dy4 Dy 0.50000 0.50000 0.50000 1.00000
  Dy5 Dy 0.79775 0.20561 0.48004 1.00000
  Dy6 Dy 0.67507 0.09955 0.86475 1.00000
  Dy7 Dy 0.08515 0.16283 0.22078 1.00000
  Tm1 Tm 0.09618 0.37235 0.76592 1.00000
  Tm2 Tm 0.80741 0.38048 0.04088 1.00000
  Tm3 Tm 0.46187 0.19120 0.32265 1.00000
  Tm4 Tm 0.80941 0.56488 0.62170 1.00000
  Tm5 Tm 0.29814 0.07954 0.71808 1.00000
  Tm6 Tm 0.44102 0.36283 0.91880 1.00000
  Tm7 Tm 0.55898 0.63717 0.08120 1.00000
  Tm8 Tm 0.70186 0.92046 0.28192 1.00000
  Tm9 Tm 0.19059 0.43512 0.37830 1.00000
  Tm10 Tm 0.53813 0.80880 0.67735 1.00000
  Tm11 Tm 0.19259 0.61952 0.95911 1.00000
  Tm12 Tm 0.90382 0.62765 0.23408 1.00000
  Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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