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Tb8Nb3

Alexandria ALEX

Alex-ID: agm007809942 · Space group: P2/m (#10)

Basic Information

Formula
Tb8Nb3
Alex-ID
agm007809942
Elements
2
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
303.45
ų
Cell a
3.4173
Å
Cell b
9.2009
Å
Cell c
10.4006
Å
α angle
91.22
°
β angle
90.11
°
γ angle
111.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Nb3
Tb
8.00 · 72.7%
Nb
3.00 · 27.3%

Energy & Stability

Energy above hull
0.2244
eV/atom
Formation energy
0.2244
eV/atom
Corrected total energy
-64.7989
eV
Raw total energy
-64.7989
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.2980
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_95_spg2

Decomposition

Nb Tb

Computed at

2024-05-30 06:25:27.582290

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: agm007809942).

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 agm007809942
data_agm007809942
_cell_length_a     3.41731
_cell_length_b     9.20088
_cell_length_c     10.40058
_cell_angle_alpha  91.21725
_cell_angle_beta   90.11224
_cell_angle_gamma  111.84702
_cell_volume       303.44576
_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 0.62382 0.62839 0.86882 1.00000
  Tb2 Tb 0.37618 0.37161 0.13118 1.00000
  Tb3 Tb 0.23219 0.73221 0.14692 1.00000
  Tb4 Tb 0.76781 0.26779 0.85308 1.00000
  Tb5 Tb 0.58490 0.08425 0.26499 1.00000
  Tb6 Tb 0.41510 0.91575 0.73501 1.00000
  Tb7 Tb 0.22408 0.22352 0.54868 1.00000
  Tb8 Tb 0.77592 0.77648 0.45132 1.00000
  Nb1 Nb 0.00000 0.00000 0.00000 1.00000
  Nb2 Nb 0.02736 0.53511 0.62084 1.00000
  Nb3 Nb 0.97264 0.46489 0.37916 1.00000
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