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Tb7Fe4Ge13

Alexandria ALEX

Alex-ID: agm008583602 · Space group: P4/m (#83)

Alexandria Database API

Basic Information

Formula
Tb7Fe4Ge13
Alex-ID
agm008583602
Elements
3
Sites
24
Space group
P4/m (#83)
Crystal system
tetragonal
Volume
458.73
ų
Cell a
10.4281
Å
Cell b
10.4281
Å
Cell c
4.2184
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7Fe4Ge13
Tb
7.00 · 29.2%
Fe
4.00 · 16.7%
Ge
13.00 · 54.2%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6110
eV/atom
Corrected total energy
-140.9663
eV
Raw total energy
-140.9663
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.1639
Total magnetisation
4.7955
μB

Additional Information

Prototype ID

A4B7C13_1_spg83

Decomposition

Tb7Fe4Ge13

Computed at

2024-04-21 19:31:47.416646

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: agm008583602).

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 agm008583602
data_agm008583602
_cell_length_a     10.42808
_cell_length_b     10.42808
_cell_length_c     4.21838
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       458.72734
_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
  Tb2 Tb 0.67314 0.33259 0.50000 1.00000
  Tb3 Tb 0.32686 0.66741 0.50000 1.00000
  Tb4 Tb 0.33259 0.32686 0.50000 1.00000
  Tb5 Tb 0.66741 0.67314 0.50000 1.00000
  Tb6 Tb 0.00000 0.50000 0.50000 1.00000
  Tb7 Tb 0.50000 0.00000 0.50000 1.00000
  Fe1 Fe 0.72130 0.11662 0.00000 1.00000
  Fe2 Fe 0.27870 0.88338 0.00000 1.00000
  Fe3 Fe 0.11662 0.27870 0.00000 1.00000
  Fe4 Fe 0.88338 0.72130 0.00000 1.00000
  Ge1 Ge 0.88590 0.28652 0.00000 1.00000
  Ge2 Ge 0.11410 0.71348 0.00000 1.00000
  Ge3 Ge 0.28652 0.11410 0.00000 1.00000
  Ge4 Ge 0.71348 0.88590 0.00000 1.00000
  Ge5 Ge 0.80501 0.07309 0.50000 1.00000
  Ge6 Ge 0.19499 0.92691 0.50000 1.00000
  Ge7 Ge 0.07309 0.19499 0.50000 1.00000
  Ge8 Ge 0.92691 0.80501 0.50000 1.00000
  Ge9 Ge 0.78672 0.51490 0.00000 1.00000
  Ge10 Ge 0.21328 0.48510 0.00000 1.00000
  Ge11 Ge 0.51490 0.21328 0.00000 1.00000
  Ge12 Ge 0.48510 0.78672 0.00000 1.00000
  Ge13 Ge 0.50000 0.50000 0.00000 1.00000
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