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Tb7(SbPt)2

Alexandria ALEX

Alex-ID: agm003322331 · Space group: Cmmm (#65)

Basic Information

Formula
Tb7(SbPt)2
Alex-ID
agm003322331
Elements
3
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
328.79
ų
Cell a
6.9749
Å
Cell b
6.9310
Å
Cell c
6.9749
Å
α angle
90.00
°
β angle
102.82
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7(SbPt)2
Tb
7.00 · 63.6%
Sb
2.00 · 18.2%
Pt
2.00 · 18.2%

Energy & Stability

Energy above hull
0.2480
eV/atom
Formation energy
-0.7068
eV/atom
Corrected total energy
-60.6216
eV
Raw total energy
-60.6216
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5104
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_244_spg65

Decomposition

Tb2Pt Tb5Sb2Pt

Computed at

2022-01-26 13:17:27.971343

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: agm003322331).

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 agm003322331
data_agm003322331
_cell_length_a     6.97495
_cell_length_b     6.93101
_cell_length_c     6.97495
_cell_angle_alpha  89.99822
_cell_angle_beta   102.81549
_cell_angle_gamma  90.00178
_cell_volume       328.79335
_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 0.99980 0.25235 0.50033 1.00000
  Tb2 Tb 0.50033 0.74765 0.99980 1.00000
  Tb3 Tb 0.00020 0.74765 0.49967 1.00000
  Tb4 Tb 0.49967 0.25235 0.00020 1.00000
  Tb5 Tb 0.00000 0.00000 0.00000 1.00000
  Tb6 Tb 0.50022 0.76078 0.49978 1.00000
  Tb7 Tb 0.49978 0.23922 0.50022 1.00000
  Sb1 Sb 0.80265 0.50000 0.80265 1.00000
  Sb2 Sb 0.19735 0.50000 0.19735 1.00000
  Pt1 Pt 0.72131 0.99998 0.27869 1.00000
  Pt2 Pt 0.27869 0.00002 0.72131 1.00000
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