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Tb4Pm12Ge

Alexandria ALEX

Alex-ID: agm099486366 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Tb4Pm12Ge
Alex-ID
agm099486366
Elements
3
Sites
17
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
581.18
ų
Cell a
10.3381
Å
Cell b
10.3381
Å
Cell c
5.4379
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Pm12Ge
Tb
4.00 · 23.5%
Pm
12.00 · 70.6%
Ge
1.00 · 5.9%

Energy & Stability

Energy above hull
0.1449
eV/atom
Formation energy
0.0195
eV/atom
Corrected total energy
-79.8220
eV
Raw total energy
-79.8220
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0072
eV
DOS at Fermi level
26.6145
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB4C12_333_spg123

Decomposition

Tb5Pm3 Tb5Ge3 Pm

Computed at

2025-04-15 14:02:58

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: agm099486366).

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 agm099486366
data_agm099486366
_cell_length_a     10.33814
_cell_length_b     10.33814
_cell_length_c     5.43787
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       581.18457
_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 0.24588 0.24588 0.00000 1.00000
  Tb2 Tb 0.75412 0.24588 0.00000 1.00000
  Tb3 Tb 0.24588 0.75412 0.00000 1.00000
  Tb4 Tb 0.75412 0.75412 0.00000 1.00000
  Pm1 Pm 0.50000 0.22307 0.50000 1.00000
  Pm2 Pm 0.00000 0.24095 0.50000 1.00000
  Pm3 Pm 0.50000 0.77693 0.50000 1.00000
  Pm4 Pm 0.00000 0.75905 0.50000 1.00000
  Pm5 Pm 0.22307 0.50000 0.50000 1.00000
  Pm6 Pm 0.77693 0.50000 0.50000 1.00000
  Pm7 Pm 0.24095 0.00000 0.50000 1.00000
  Pm8 Pm 0.75905 0.00000 0.50000 1.00000
  Pm9 Pm 0.50000 0.50000 0.00000 1.00000
  Pm10 Pm 0.00000 0.50000 0.00000 1.00000
  Pm11 Pm 0.50000 0.00000 0.00000 1.00000
  Pm12 Pm 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.50000 0.50000 0.50000 1.00000
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