Navigation

HEAS Data Platform · Materials Science Database

Tb3(InNi)2

Alexandria ALEX

Alex-ID: agm009463185 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Tb3(InNi)2
Alex-ID
agm009463185
Elements
3
Sites
7
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
157.98
ų
Cell a
11.1971
Å
Cell b
11.1971
Å
Cell c
3.6481
Å
α angle
90.00
°
β angle
90.00
°
γ angle
159.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3(InNi)2
Tb
3.00 · 42.9%
In
2.00 · 28.6%
Ni
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0148
eV/atom
Formation energy
-0.5016
eV/atom
Corrected total energy
-34.5149
eV
Raw total energy
-34.5149
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.1642
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_1640_spg2

Decomposition

Tb11In9Ni4 Tb2InNi2

Computed at

2024-04-22 19:06:15.258926

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: agm009463185).

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 agm009463185
data_agm009463185
_cell_length_a     11.19707
_cell_length_b     11.19707
_cell_length_c     3.64809
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  159.79294
_cell_volume       157.98415
_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 0.17626 0.82374 0.50000 1.00000
  Tb2 Tb 0.00000 0.00000 0.50000 1.00000
  Tb3 Tb 0.82374 0.17626 0.50000 1.00000
  In1 In 0.41253 0.58747 0.00000 1.00000
  In2 In 0.58747 0.41253 0.00000 1.00000
  Ni1 Ni 0.28248 0.71752 0.00000 1.00000
  Ni2 Ni 0.71752 0.28248 0.00000 1.00000
Get direct link