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Tb2SbPd

Alexandria ALEX

Alex-ID: agm003629656 · Space group: P2_1/m (#11)

Basic Information

Formula
Tb2SbPd
Alex-ID
agm003629656
Elements
3
Sites
8
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
204.25
ų
Cell a
4.3234
Å
Cell b
6.1365
Å
Cell c
8.3013
Å
α angle
111.96
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2SbPd
Tb
4.00 · 50.0%
Sb
2.00 · 25.0%
Pd
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0711
eV/atom
Formation energy
-0.9585
eV/atom
Corrected total energy
-44.8277
eV
Raw total energy
-44.8277
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0145
eV
DOS at Fermi level
6.2648
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_141_spg11

Decomposition

TbSb TbPd

Computed at

2022-04-14 20:48:47.626451

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: agm003629656).

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 agm003629656
data_agm003629656
_cell_length_a     4.32339
_cell_length_b     6.13646
_cell_length_c     8.30126
_cell_angle_alpha  111.96318
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       204.25139
_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 0.75000 0.20606 0.44317 1.00000
  Tb2 Tb 0.25000 0.79394 0.55683 1.00000
  Tb3 Tb 0.25000 0.77392 0.09146 1.00000
  Tb4 Tb 0.75000 0.22608 0.90854 1.00000
  Sb1 Sb 0.25000 0.32229 0.20598 1.00000
  Sb2 Sb 0.75000 0.67771 0.79402 1.00000
  Pd1 Pd 0.75000 0.66711 0.29414 1.00000
  Pd2 Pd 0.25000 0.33289 0.70586 1.00000
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