Tb14(InCo)3

Alexandria ALEX

Alex-ID: agm008228992 · Space group: P4_2/nmc (#137)

Alexandria Database API

Basic Information

Formula

Tb14(InCo)3

Alex-ID

agm008228992

Elements

Sites

Space group

P4_2/nmc (#137)

Crystal system

tetragonal

Volume

2,150.29

Å³

Cell a

9.5912

Cell b

9.5912

Cell c

23.3748

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Tb14(InCo)3

56.00 · 70.0%

12.00 · 15.0%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-0.2708

eV/atom

Corrected total energy

-399.7945

Raw total energy

-399.7945

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0046

DOS at Fermi level

63.0166

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A3B3C14_2_spg137

Decomposition

Tb14(InCo)3

Computed at

2024-11-14 14:22:04.232216

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: agm008228992).

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…

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008228992
data_agm008228992
_cell_length_a     9.59122
_cell_length_b     9.59122
_cell_length_c     23.37483
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       2150.28835
_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 0.50000 0.18778 0.21996 1.00000
  Tb2 Tb 0.50000 0.30910 0.73328 1.00000
  Tb3 Tb 0.50000 0.69090 0.73328 1.00000
  Tb4 Tb 0.68550 0.18202 0.35548 1.00000
  Tb5 Tb 0.81798 0.68550 0.64452 1.00000
  Tb6 Tb 0.18909 0.18909 0.00000 1.00000
  Tb7 Tb 0.68202 0.18550 0.85548 1.00000
  Tb8 Tb 0.18550 0.68202 0.14452 1.00000
  Tb9 Tb 0.00000 0.19090 0.76672 1.00000
  Tb10 Tb 0.81222 0.50000 0.78004 1.00000
  Tb11 Tb 0.00000 0.00000 0.89506 1.00000
  Tb12 Tb 0.31450 0.81798 0.35548 1.00000
  Tb13 Tb 0.00000 0.31222 0.28004 1.00000
  Tb14 Tb 0.68909 0.68909 0.50000 1.00000
  Tb15 Tb 0.00000 0.68778 0.28004 1.00000
  Tb16 Tb 0.31091 0.68909 0.50000 1.00000
  Tb17 Tb 0.18778 0.50000 0.78004 1.00000
  Tb18 Tb 0.68778 0.00000 0.71996 1.00000
  Tb19 Tb 0.30075 0.50000 0.94706 1.00000
  Tb20 Tb 0.00000 0.50000 0.53584 1.00000
  Tb21 Tb 0.19090 0.00000 0.23328 1.00000
  Tb22 Tb 0.18202 0.31450 0.64452 1.00000
  Tb23 Tb 0.68909 0.31091 0.50000 1.00000
  Tb24 Tb 0.30910 0.50000 0.26672 1.00000
  Tb25 Tb 0.80075 0.00000 0.55294 1.00000
  Tb26 Tb 0.50000 0.50000 0.39506 1.00000
  Tb27 Tb 0.19925 0.00000 0.55294 1.00000
  Tb28 Tb 0.50000 0.50000 0.60494 1.00000
  Tb29 Tb 0.31450 0.18202 0.35548 1.00000
  Tb30 Tb 0.68550 0.81798 0.35548 1.00000
  Tb31 Tb 0.81450 0.68202 0.14452 1.00000
  Tb32 Tb 0.81091 0.81091 0.00000 1.00000
  Tb33 Tb 0.00000 0.80910 0.76672 1.00000
  Tb34 Tb 0.50000 0.00000 0.46416 1.00000
  Tb35 Tb 0.69090 0.50000 0.26672 1.00000
  Tb36 Tb 0.00000 0.80075 0.44706 1.00000
  Tb37 Tb 0.31798 0.81450 0.85548 1.00000
  Tb38 Tb 0.31222 0.00000 0.71996 1.00000
  Tb39 Tb 0.18909 0.81091 0.00000 1.00000
  Tb40 Tb 0.00000 0.00000 0.10494 1.00000
  Tb41 Tb 0.80910 0.00000 0.23328 1.00000
  Tb42 Tb 0.68202 0.81450 0.85548 1.00000
  Tb43 Tb 0.50000 0.81222 0.21996 1.00000
  Tb44 Tb 0.69925 0.50000 0.94706 1.00000
  Tb45 Tb 0.81798 0.31450 0.64452 1.00000
  Tb46 Tb 0.50000 0.00000 0.96416 1.00000
  Tb47 Tb 0.81091 0.18909 0.00000 1.00000
  Tb48 Tb 0.50000 0.30075 0.05294 1.00000
  Tb49 Tb 0.50000 0.69925 0.05294 1.00000
  Tb50 Tb 0.31798 0.18550 0.85548 1.00000
  Tb51 Tb 0.31091 0.31091 0.50000 1.00000
  Tb52 Tb 0.81450 0.31798 0.14452 1.00000
  Tb53 Tb 0.18202 0.68550 0.64452 1.00000
  Tb54 Tb 0.00000 0.19925 0.44706 1.00000
  Tb55 Tb 0.00000 0.50000 0.03584 1.00000
  Tb56 Tb 0.18550 0.31798 0.14452 1.00000
  In1 In 0.50000 0.84164 0.60485 1.00000
  In2 In 0.00000 0.00000 0.34357 1.00000
  In3 In 0.00000 0.65836 0.89515 1.00000
  In4 In 0.84164 0.50000 0.39515 1.00000
  In5 In 0.50000 0.50000 0.84357 1.00000
  In6 In 0.65836 0.00000 0.10485 1.00000
  In7 In 0.50000 0.50000 0.15643 1.00000
  In8 In 0.15836 0.50000 0.39515 1.00000
  In9 In 0.50000 0.15836 0.60485 1.00000
  In10 In 0.00000 0.34164 0.89515 1.00000
  In11 In 0.00000 0.00000 0.65643 1.00000
  In12 In 0.34164 0.00000 0.10485 1.00000
  Co1 Co 0.50000 0.00000 0.30086 1.00000
  Co2 Co 0.50000 0.00000 0.80086 1.00000
  Co3 Co 0.50000 0.28234 0.93838 1.00000
  Co4 Co 0.71766 0.50000 0.06162 1.00000
  Co5 Co 0.00000 0.78234 0.56162 1.00000
  Co6 Co 0.21766 0.00000 0.43838 1.00000
  Co7 Co 0.78234 0.00000 0.43838 1.00000
  Co8 Co 0.50000 0.71766 0.93838 1.00000
  Co9 Co 0.00000 0.50000 0.19914 1.00000
  Co10 Co 0.00000 0.21766 0.56162 1.00000
  Co11 Co 0.28234 0.50000 0.06162 1.00000
  Co12 Co 0.00000 0.50000 0.69914 1.00000

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