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TbPmDy4

Alexandria ALEX

Alex-ID: agm070124873 · Space group: C2/m (#12)

Basic Information

Formula
TbPmDy4
Alex-ID
agm070124873
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
191.73
ų
Cell a
6.1676
Å
Cell b
6.1676
Å
Cell c
7.1336
Å
α angle
73.19
°
β angle
106.81
°
γ angle
131.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbPmDy4
Tb
1.00 · 16.7%
Pm
1.00 · 16.7%
Dy
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0235
eV/atom
Formation energy
0.0171
eV/atom
Corrected total energy
-27.6955
eV
Raw total energy
-27.6955
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0045
eV
DOS at Fermi level
7.5908
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1206_spg12

Decomposition

Pm3Dy5 Tb2Pm3Dy TbDy5

Computed at

2025-04-15 02:21:40

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: agm070124873).

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 agm070124873
data_agm070124873
_cell_length_a     6.16762
_cell_length_b     6.16762
_cell_length_c     7.13362
_cell_angle_alpha  73.19301
_cell_angle_beta   106.80699
_cell_angle_gamma  131.84873
_cell_volume       191.73341
_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
  Tb1 Tb 0.00000 0.00000 0.50000 1.00000
  Pm1 Pm 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.33331 0.66669 0.16728 1.00000
  Dy2 Dy 0.66669 0.33331 0.83272 1.00000
  Dy3 Dy 0.33253 0.66747 0.66569 1.00000
  Dy4 Dy 0.66747 0.33253 0.33431 1.00000
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