Navigation

HEAS Data Platform · Materials Science Database

TbTmNi2Pb

Alexandria ALEX

Alex-ID: agm024156780 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
TbTmNi2Pb
Alex-ID
agm024156780
Elements
4
Sites
10
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
208.77
ų
Cell a
8.2786
Å
Cell b
8.2786
Å
Cell c
8.2786
Å
α angle
152.30
°
β angle
127.10
°
γ angle
60.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbTmNi2Pb
Tb
2.00 · 20.0%
Tm
2.00 · 20.0%
Ni
4.00 · 40.0%
Pb
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0047
eV/atom
Formation energy
-0.5144
eV/atom
Corrected total energy
-53.9043
eV
Raw total energy
-53.9043
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0202
eV
DOS at Fermi level
7.3827
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABCD2_1904_spg12

Decomposition

Tb2Ni2Pb Tm2Ni2Pb

Computed at

2024-10-27 06:15:06.375199

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: agm024156780).

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 agm024156780
data_agm024156780
_cell_length_a     8.27860
_cell_length_b     8.27860
_cell_length_c     8.27860
_cell_angle_alpha  152.29763
_cell_angle_beta   127.10480
_cell_angle_gamma  60.74816
_cell_volume       208.76996
_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 0.86036 0.36036 0.50000 1.00000
  Tb2 Tb 0.13964 0.63964 0.50000 1.00000
  Tm1 Tm 0.64257 0.64257 0.00000 1.00000
  Tm2 Tm 0.35743 0.35743 0.00000 1.00000
  Ni1 Ni 0.45361 0.20079 0.25282 1.00000
  Ni2 Ni 0.54639 0.79921 0.74718 1.00000
  Ni3 Ni 0.05202 0.79921 0.25282 1.00000
  Ni4 Ni 0.94798 0.20079 0.74718 1.00000
  Pb1 Pb 0.74346 0.00000 0.74346 1.00000
  Pb2 Pb 0.25654 0.00000 0.25654 1.00000
Get direct link