Tm(Cd10Rh)2

Alexandria ALEX

Alex-ID: agm022017649 · Space group: Fd-3m (#227)

Alexandria Database API

Basic Information

Formula

Tm(Cd10Rh)2

Alex-ID

agm022017649

Elements

Sites

Space group

Fd-3m (#227)

Crystal system

cubic

Volume

978.30

Å³

Cell a

11.1428

Cell b

11.1428

Cell c

11.1428

α angle

60.00

β angle

60.00

γ angle

60.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Tm(Cd10Rh)2

2.00 · 4.3%

40.00 · 87.0%

4.00 · 8.7%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-0.1318

eV/atom

Corrected total energy

-81.3534

Raw total energy

-81.3534

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0716

DOS at Fermi level

20.2988

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB2C20_0_spg227

Decomposition

Tm(Cd10Rh)2

Computed at

2024-10-02 01:14:33.242577

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: agm022017649).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm022017649
data_agm022017649
_cell_length_a     11.14283
_cell_length_b     11.14283
_cell_length_c     11.14283
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       978.29832
_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 0.50000 0.50000 0.50000 1.00000
  Tm2 Tm 0.75000 0.75000 0.75000 1.00000
  Cd1 Cd 0.30196 0.30196 0.82796 1.00000
  Cd2 Cd 0.82796 0.56812 0.30196 1.00000
  Cd3 Cd 0.56812 0.82796 0.30196 1.00000
  Cd4 Cd 0.30196 0.30196 0.56812 1.00000
  Cd5 Cd 0.56812 0.30196 0.82796 1.00000
  Cd6 Cd 0.30196 0.82796 0.30196 1.00000
  Cd7 Cd 0.30196 0.56812 0.30196 1.00000
  Cd8 Cd 0.82796 0.30196 0.56812 1.00000
  Cd9 Cd 0.30196 0.56812 0.82796 1.00000
  Cd10 Cd 0.56812 0.30196 0.30196 1.00000
  Cd11 Cd 0.82796 0.30196 0.30196 1.00000
  Cd12 Cd 0.30196 0.82796 0.56812 1.00000
  Cd13 Cd 0.94804 0.94804 0.42204 1.00000
  Cd14 Cd 0.42204 0.68188 0.94804 1.00000
  Cd15 Cd 0.68188 0.42204 0.94804 1.00000
  Cd16 Cd 0.94804 0.94804 0.68188 1.00000
  Cd17 Cd 0.68188 0.94804 0.42204 1.00000
  Cd18 Cd 0.94804 0.42204 0.94804 1.00000
  Cd19 Cd 0.94804 0.68188 0.94804 1.00000
  Cd20 Cd 0.42204 0.94804 0.68188 1.00000
  Cd21 Cd 0.94804 0.68188 0.42204 1.00000
  Cd22 Cd 0.68188 0.94804 0.94804 1.00000
  Cd23 Cd 0.42204 0.94804 0.94804 1.00000
  Cd24 Cd 0.94804 0.42204 0.68188 1.00000
  Cd25 Cd 0.13767 0.86233 0.13767 1.00000
  Cd26 Cd 0.86233 0.13767 0.86233 1.00000
  Cd27 Cd 0.86233 0.13767 0.13767 1.00000
  Cd28 Cd 0.13767 0.86233 0.86233 1.00000
  Cd29 Cd 0.86233 0.86233 0.13767 1.00000
  Cd30 Cd 0.13767 0.13767 0.86233 1.00000
  Cd31 Cd 0.11233 0.38767 0.11233 1.00000
  Cd32 Cd 0.38767 0.11233 0.38767 1.00000
  Cd33 Cd 0.38767 0.11233 0.11233 1.00000
  Cd34 Cd 0.11233 0.38767 0.38767 1.00000
  Cd35 Cd 0.38767 0.38767 0.11233 1.00000
  Cd36 Cd 0.11233 0.11233 0.38767 1.00000
  Cd37 Cd 0.62500 0.62500 0.62500 1.00000
  Cd38 Cd 0.62500 0.12500 0.62500 1.00000
  Cd39 Cd 0.12500 0.62500 0.62500 1.00000
  Cd40 Cd 0.62500 0.62500 0.12500 1.00000
  Rh1 Rh 0.12500 0.12500 0.12500 1.00000
  Rh2 Rh 0.12500 0.62500 0.12500 1.00000
  Rh3 Rh 0.62500 0.12500 0.12500 1.00000
  Rh4 Rh 0.12500 0.12500 0.62500 1.00000

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