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Tb3InTc

Alexandria ALEX

Alex-ID: agm005803111 · Space group: Fmmm (#69)

Basic Information

Formula
Tb3InTc
Alex-ID
agm005803111
Elements
3
Sites
10
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
260.30
ų
Cell a
5.8899
Å
Cell b
5.8899
Å
Cell c
8.6969
Å
α angle
102.60
°
β angle
102.60
°
γ angle
110.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3InTc
Tb
6.00 · 60.0%
In
2.00 · 20.0%
Tc
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0540
eV/atom
Formation energy
-0.2129
eV/atom
Corrected total energy
-56.1943
eV
Raw total energy
-56.1943
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0209
eV
DOS at Fermi level
7.8336
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_6810_spg2

Decomposition

Tb2In Tb4InTc TbTc2

Computed at

2023-07-06 01:02:39.392866

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: agm005803111).

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 agm005803111
data_agm005803111
_cell_length_a     5.88991
_cell_length_b     5.88991
_cell_length_c     8.69687
_cell_angle_alpha  102.60143
_cell_angle_beta   102.59891
_cell_angle_gamma  110.84148
_cell_volume       260.30237
_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 0.29909 0.79910 0.09819 1.00000
  Tb2 Tb 0.70091 0.20090 0.90181 1.00000
  Tb3 Tb 0.08293 0.19841 0.28134 1.00000
  Tb4 Tb 0.91707 0.80159 0.71866 1.00000
  Tb5 Tb 0.69839 0.58295 0.28135 1.00000
  Tb6 Tb 0.30161 0.41705 0.71865 1.00000
  In1 In 0.70568 0.20568 0.50000 1.00000
  In2 In 0.29432 0.79432 0.50000 1.00000
  Tc1 Tc 0.25001 0.25001 0.00000 1.00000
  Tc2 Tc 0.74999 0.74999 0.00000 1.00000
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