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Tb4SbPt

Alexandria ALEX

Alex-ID: agm003738697 · Space group: C2/c (#15)

Basic Information

Formula
Tb4SbPt
Alex-ID
agm003738697
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
365.21
ų
Cell a
6.8638
Å
Cell b
7.1994
Å
Cell c
8.4973
Å
α angle
106.47
°
β angle
113.82
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4SbPt
Tb
8.00 · 66.7%
Sb
2.00 · 16.7%
Pt
2.00 · 16.7%

Energy & Stability

Energy above hull
0.2195
eV/atom
Formation energy
-0.6572
eV/atom
Corrected total energy
-65.3658
eV
Raw total energy
-65.3658
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5033
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

ABC4_1811_spg15

Decomposition

Tb3Pt Tb5Sb3 Tb2Pt

Computed at

2022-04-18 23:09:13.707289

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: agm003738697).

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 agm003738697
data_agm003738697
_cell_length_a     6.86382
_cell_length_b     7.19945
_cell_length_c     8.49731
_cell_angle_alpha  106.47314
_cell_angle_beta   113.82109
_cell_angle_gamma  90.00000
_cell_volume       365.20989
_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 0.22565 0.14828 0.31973 1.00000
  Tb2 Tb 0.09408 0.64828 0.31973 1.00000
  Tb3 Tb 0.66798 0.97166 0.18176 1.00000
  Tb4 Tb 0.51378 0.47166 0.18176 1.00000
  Tb5 Tb 0.33202 0.02834 0.81824 1.00000
  Tb6 Tb 0.48622 0.52834 0.81824 1.00000
  Tb7 Tb 0.77435 0.85172 0.68027 1.00000
  Tb8 Tb 0.90592 0.35172 0.68027 1.00000
  Sb1 Sb 0.17624 0.75000 0.00000 1.00000
  Sb2 Sb 0.82376 0.25000 0.00000 1.00000
  Pt1 Pt 0.50000 0.50000 0.50000 1.00000
  Pt2 Pt 0.00000 0.00000 0.50000 1.00000
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