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Tb(Dy3Ge4)2

Alexandria ALEX

Alex-ID: agm071979293 · Space group: P-1 (#2)

Basic Information

Formula
Tb(Dy3Ge4)2
Alex-ID
agm071979293
Elements
3
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
357.91
ų
Cell a
7.4470
Å
Cell b
7.7726
Å
Cell c
7.5735
Å
α angle
66.58
°
β angle
68.14
°
γ angle
67.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(Dy3Ge4)2
Tb
1.00 · 6.7%
Dy
6.00 · 40.0%
Ge
8.00 · 53.3%

Energy & Stability

Energy above hull
0.2024
eV/atom
Formation energy
-0.6337
eV/atom
Corrected total energy
-78.6985
eV
Raw total energy
-78.6985
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.1165
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_0_spg148

Decomposition

Dy3Ge4 TbDy2Ge3 DyGe

Computed at

2024-10-06 08:01:56.812964

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: agm071979293).

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 agm071979293
data_agm071979293
_cell_length_a     7.44700
_cell_length_b     7.77260
_cell_length_c     7.57351
_cell_angle_alpha  66.57989
_cell_angle_beta   68.14167
_cell_angle_gamma  67.02950
_cell_volume       357.91382
_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 0.00000 1.00000
  Dy1 Dy 0.82727 0.59870 0.33567 1.00000
  Dy2 Dy 0.59671 0.34551 0.83133 1.00000
  Dy3 Dy 0.31841 0.84222 0.58741 1.00000
  Dy4 Dy 0.17273 0.40130 0.66433 1.00000
  Dy5 Dy 0.40329 0.65449 0.16867 1.00000
  Dy6 Dy 0.68159 0.15778 0.41259 1.00000
  Ge1 Ge 0.70739 0.71601 0.71323 1.00000
  Ge2 Ge 0.29261 0.28399 0.28677 1.00000
  Ge3 Ge 0.16219 0.56773 0.97104 1.00000
  Ge4 Ge 0.55396 0.98204 0.16582 1.00000
  Ge5 Ge 0.97275 0.19364 0.56982 1.00000
  Ge6 Ge 0.83781 0.43227 0.02896 1.00000
  Ge7 Ge 0.44604 0.01796 0.83418 1.00000
  Ge8 Ge 0.02725 0.80636 0.43018 1.00000
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