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Tb4Si3Pt

Alexandria ALEX

Alex-ID: agm003553084 · Space group: Pmm2 (#25)

Basic Information

Formula
Tb4Si3Pt
Alex-ID
agm003553084
Elements
3
Sites
8
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
179.02
ų
Cell a
4.2201
Å
Cell b
3.9328
Å
Cell c
10.7863
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Si3Pt
Tb
4.00 · 50.0%
Si
3.00 · 37.5%
Pt
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0322
eV/atom
Formation energy
-0.9028
eV/atom
Corrected total energy
-48.1086
eV
Raw total energy
-48.1086
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0112
eV
DOS at Fermi level
5.2742
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_77_spg25

Decomposition

TbSi TbPt

Computed at

2022-03-23 02:20:11.206680

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: agm003553084).

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 agm003553084
data_agm003553084
_cell_length_a     4.22011
_cell_length_b     3.93279
_cell_length_c     10.78630
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       179.01787
_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 0.50000 0.50000 0.35778 1.00000
  Tb2 Tb 0.00000 0.50000 0.85818 1.00000
  Tb3 Tb 0.00000 0.00000 0.13680 1.00000
  Tb4 Tb 0.50000 0.00000 0.64182 1.00000
  Si1 Si 0.00000 0.50000 0.57390 1.00000
  Si2 Si 0.00000 0.00000 0.43112 1.00000
  Si3 Si 0.50000 0.00000 0.92064 1.00000
  Pt1 Pt 0.50000 0.50000 0.07976 1.00000
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