Tm3(SbRh2)4

Alexandria ALEX

Alex-ID: agm005704717 · Space group: Fm-3m (#225)

Alexandria Database API

Basic Information

Formula

Tm3(SbRh2)4

Alex-ID

agm005704717

Elements

Sites

Space group

Fm-3m (#225)

Crystal system

cubic

Volume

541.27

Å³

Cell a

9.1476

Cell b

9.1476

Cell c

9.1476

α angle

60.00

β angle

60.00

γ angle

60.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Tm3(SbRh2)4

6.00 · 20.0%

8.00 · 26.7%

16.00 · 53.3%

Energy & Stability

Energy above hull

0.0256

eV/atom

Formation energy

-0.7458

eV/atom

Corrected total energy

-199.8038

Raw total energy

-199.8038

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

17.3603

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A3B4C8_23_spg225

Decomposition

Tm4Sb6Rh7 Tm2SbRh5 SbRh

Computed at

2023-06-29 18:40:14.478175

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: agm005704717).

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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm005704717
data_agm005704717
_cell_length_a     9.14764
_cell_length_b     9.14764
_cell_length_c     9.14764
_cell_angle_alpha  59.99999
_cell_angle_beta   59.99999
_cell_angle_gamma  60.00000
_cell_volume       541.26840
_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
  Tm1 Tm 0.72875 0.72875 0.27125 1.00000
  Tm2 Tm 0.27125 0.27125 0.72875 1.00000
  Tm3 Tm 0.72875 0.27125 0.27125 1.00000
  Tm4 Tm 0.27125 0.72875 0.72875 1.00000
  Tm5 Tm 0.72875 0.27125 0.72875 1.00000
  Tm6 Tm 0.27125 0.72875 0.27125 1.00000
  Sb1 Sb 0.00000 0.00000 0.00000 1.00000
  Sb2 Sb 0.50000 0.50000 0.00000 1.00000
  Sb3 Sb 0.00000 0.00000 0.50000 1.00000
  Sb4 Sb 0.50000 0.00000 0.00000 1.00000
  Sb5 Sb 0.00000 0.50000 0.50000 1.00000
  Sb6 Sb 0.50000 0.00000 0.50000 1.00000
  Sb7 Sb 0.00000 0.50000 0.00000 1.00000
  Sb8 Sb 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.64019 0.11994 0.11994 1.00000
  Rh2 Rh 0.35981 0.88006 0.88006 1.00000
  Rh3 Rh 0.11994 0.11994 0.64019 1.00000
  Rh4 Rh 0.11994 0.11994 0.11994 1.00000
  Rh5 Rh 0.88006 0.88006 0.35981 1.00000
  Rh6 Rh 0.88006 0.88006 0.88006 1.00000
  Rh7 Rh 0.11994 0.64019 0.11994 1.00000
  Rh8 Rh 0.88006 0.35981 0.88006 1.00000
  Rh9 Rh 0.99107 0.33631 0.33631 1.00000
  Rh10 Rh 0.00893 0.66369 0.66369 1.00000
  Rh11 Rh 0.33631 0.33631 0.99107 1.00000
  Rh12 Rh 0.33631 0.33631 0.33631 1.00000
  Rh13 Rh 0.66369 0.66369 0.00893 1.00000
  Rh14 Rh 0.66369 0.66369 0.66369 1.00000
  Rh15 Rh 0.33631 0.99107 0.33631 1.00000
  Rh16 Rh 0.66369 0.00893 0.66369 1.00000

Get direct link