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HEAS Data Platform · Materials Science Database

Tb8SiPt24

Alexandria ALEX

Alex-ID: agm024015713 · Space group: Pm-3m (#221)

Alexandria Database API

Basic Information

Formula
Tb8SiPt24
Alex-ID
agm024015713
Elements
3
Sites
33
Space group
Pm-3m (#221)
Crystal system
cubic
Volume
582.99
ų
Cell a
8.3538
Å
Cell b
8.3538
Å
Cell c
8.3538
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8SiPt24
Tb
8.00 · 24.2%
Si
1.00 · 3.0%
Pt
24.00 · 72.7%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-1.0311
eV/atom
Corrected total energy
-222.6211
eV
Raw total energy
-222.6211
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0043
eV
DOS at Fermi level
12.5224
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB8C24_0_spg221

Decomposition

Tb8SiPt24

Computed at

2024-11-27 18:21:04.969553

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: agm024015713).

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 agm024015713
data_agm024015713
_cell_length_a     8.35384
_cell_length_b     8.35384
_cell_length_c     8.35384
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       582.98594
_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 0.25281 0.25281 0.25281 1.00000
  Tb2 Tb 0.74719 0.74719 0.74719 1.00000
  Tb3 Tb 0.74719 0.74719 0.25281 1.00000
  Tb4 Tb 0.74719 0.25281 0.74719 1.00000
  Tb5 Tb 0.25281 0.25281 0.74719 1.00000
  Tb6 Tb 0.25281 0.74719 0.25281 1.00000
  Tb7 Tb 0.25281 0.74719 0.74719 1.00000
  Tb8 Tb 0.74719 0.25281 0.25281 1.00000
  Si1 Si 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.25818 0.50000 0.00000 1.00000
  Pt2 Pt 0.74182 0.50000 0.00000 1.00000
  Pt3 Pt 0.00000 0.25818 0.50000 1.00000
  Pt4 Pt 0.50000 0.25818 0.00000 1.00000
  Pt5 Pt 0.00000 0.74182 0.50000 1.00000
  Pt6 Pt 0.50000 0.74182 0.00000 1.00000
  Pt7 Pt 0.50000 0.00000 0.25818 1.00000
  Pt8 Pt 0.25818 0.00000 0.50000 1.00000
  Pt9 Pt 0.50000 0.00000 0.74182 1.00000
  Pt10 Pt 0.74182 0.00000 0.50000 1.00000
  Pt11 Pt 0.00000 0.50000 0.25818 1.00000
  Pt12 Pt 0.00000 0.50000 0.74182 1.00000
  Pt13 Pt 0.25228 0.50000 0.50000 1.00000
  Pt14 Pt 0.74772 0.50000 0.50000 1.00000
  Pt15 Pt 0.50000 0.25228 0.50000 1.00000
  Pt16 Pt 0.50000 0.74772 0.50000 1.00000
  Pt17 Pt 0.50000 0.50000 0.25228 1.00000
  Pt18 Pt 0.50000 0.50000 0.74772 1.00000
  Pt19 Pt 0.28242 0.00000 0.00000 1.00000
  Pt20 Pt 0.71758 0.00000 0.00000 1.00000
  Pt21 Pt 0.00000 0.28242 0.00000 1.00000
  Pt22 Pt 0.00000 0.71758 0.00000 1.00000
  Pt23 Pt 0.00000 0.00000 0.28242 1.00000
  Pt24 Pt 0.00000 0.00000 0.71758 1.00000
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