Mg11Cd9Rh4

Alexandria ALEX

Alex-ID: agm005725762 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula

Mg11Cd9Rh4

Alex-ID

agm005725762

Elements

Sites

Space group

Cmmm (#65)

Crystal system

orthorhombic

Volume

470.45

Å³

Cell a

3.2716

Cell b

12.4908

Cell c

12.4908

α angle

112.83

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Mg11Cd9Rh4

11.00 · 45.8%

9.00 · 37.5%

4.00 · 16.7%

Energy & Stability

Energy above hull

0.0212

eV/atom

Formation energy

-0.2517

eV/atom

Corrected total energy

-61.2988

Raw total energy

-61.2988

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0263

DOS at Fermi level

7.6754

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A4B9C11_1_spg65

Decomposition

Mg3Cd2Rh MgCd3 Mg2CdRh

Computed at

2023-07-11 01:35:16.516897

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: agm005725762).

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 agm005725762
data_agm005725762
_cell_length_a     3.27157
_cell_length_b     12.49075
_cell_length_c     12.49075
_cell_angle_alpha  112.82768
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       470.44780
_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
  Mg1 Mg 0.00000 0.58483 0.92435 1.00000
  Mg2 Mg 0.00000 0.41517 0.07565 1.00000
  Mg3 Mg 0.00000 0.92435 0.58483 1.00000
  Mg4 Mg 0.00000 0.07565 0.41517 1.00000
  Mg5 Mg 0.00000 0.62872 0.37128 1.00000
  Mg6 Mg 0.00000 0.37128 0.62872 1.00000
  Mg7 Mg 0.00000 0.84101 0.15899 1.00000
  Mg8 Mg 0.00000 0.15899 0.84101 1.00000
  Mg9 Mg 0.00000 0.00000 0.00000 1.00000
  Mg10 Mg 0.00000 0.69182 0.69182 1.00000
  Mg11 Mg 0.00000 0.30818 0.30818 1.00000
  Cd1 Cd 0.50000 0.62918 0.15310 1.00000
  Cd2 Cd 0.50000 0.37082 0.84690 1.00000
  Cd3 Cd 0.50000 0.15310 0.62918 1.00000
  Cd4 Cd 0.50000 0.84690 0.37082 1.00000
  Cd5 Cd 0.50000 0.78180 0.92761 1.00000
  Cd6 Cd 0.50000 0.21820 0.07239 1.00000
  Cd7 Cd 0.50000 0.92761 0.78180 1.00000
  Cd8 Cd 0.50000 0.07239 0.21820 1.00000
  Cd9 Cd 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.50000 0.54868 0.74487 1.00000
  Rh2 Rh 0.50000 0.45132 0.25513 1.00000
  Rh3 Rh 0.50000 0.74487 0.54868 1.00000
  Rh4 Rh 0.50000 0.25513 0.45132 1.00000

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