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DyHo7Tm12

Alexandria ALEX

Alex-ID: agm003704607 · Space group: R-3 (#148)

Alexandria Database API

Basic Information

Formula
DyHo7Tm12
Alex-ID
agm003704607
Elements
3
Sites
20
Space group
R-3 (#148)
Crystal system
trigonal
Volume
617.57
ų
Cell a
8.5527
Å
Cell b
8.5527
Å
Cell c
8.5527
Å
α angle
95.14
°
β angle
95.14
°
γ angle
95.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyHo7Tm12
Dy
1.00 · 5.0%
Ho
7.00 · 35.0%
Tm
12.00 · 60.0%

Energy & Stability

Energy above hull
0.3233
eV/atom
Formation energy
0.3154
eV/atom
Corrected total energy
-84.0042
eV
Raw total energy
-84.0042
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
17.8042
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C12_27_spg148

Decomposition

HoTm2 HoTm5 Dy2Ho7

Computed at

2022-04-13 16:47:21.320672

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: agm003704607).

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 agm003704607
data_agm003704607
_cell_length_a     8.55266
_cell_length_b     8.55266
_cell_length_c     8.55266
_cell_angle_alpha  95.14027
_cell_angle_beta   95.14027
_cell_angle_gamma  95.14027
_cell_volume       617.57478
_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 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.91629 0.64716 0.97953 1.00000
  Ho2 Ho 0.35284 0.02047 0.08371 1.00000
  Ho3 Ho 0.02047 0.08371 0.35284 1.00000
  Ho4 Ho 0.50000 0.50000 0.50000 1.00000
  Ho5 Ho 0.97953 0.91629 0.64716 1.00000
  Ho6 Ho 0.64716 0.97953 0.91629 1.00000
  Ho7 Ho 0.08371 0.35284 0.02047 1.00000
  Tm1 Tm 0.81309 0.25072 0.68530 1.00000
  Tm2 Tm 0.74928 0.31470 0.18691 1.00000
  Tm3 Tm 0.48043 0.14794 0.41696 1.00000
  Tm4 Tm 0.85206 0.58304 0.51957 1.00000
  Tm5 Tm 0.31470 0.18691 0.74928 1.00000
  Tm6 Tm 0.58304 0.51957 0.85206 1.00000
  Tm7 Tm 0.41696 0.48043 0.14794 1.00000
  Tm8 Tm 0.68530 0.81309 0.25072 1.00000
  Tm9 Tm 0.14794 0.41696 0.48043 1.00000
  Tm10 Tm 0.51957 0.85206 0.58304 1.00000
  Tm11 Tm 0.25072 0.68530 0.81309 1.00000
  Tm12 Tm 0.18691 0.74928 0.31470 1.00000
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