SrDy4(GeRh)10

Alexandria ALEX

Alex-ID: agm021133751 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula

SrDy4(GeRh)10

Alex-ID

agm021133751

Elements

Sites

Space group

I4/mmm (#139)

Crystal system

tetragonal

Volume

451.16

Å³

Cell a

26.3243

Cell b

26.3243

Cell c

26.3243

α angle

170.95

β angle

170.95

γ angle

12.81

Composition

Element Composition (atomic fraction)

Composition Info

Formula

SrDy4(GeRh)10

1.00 · 4.0%

4.00 · 16.0%

10.00 · 40.0%

Energy & Stability

Energy above hull

0.0068

eV/atom

Formation energy

-0.8613

eV/atom

Corrected total energy

-161.3262

Raw total energy

-161.3262

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0033

DOS at Fermi level

13.4084

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB4C10D10_0_spg139

Decomposition

Sr(GeRh)2 Dy(GeRh)2

Computed at

2025-02-20 03:04:58

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: agm021133751).

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 agm021133751
data_agm021133751
_cell_length_a     26.32434
_cell_length_b     26.32434
_cell_length_c     26.32434
_cell_angle_alpha  170.95178
_cell_angle_beta   170.95178
_cell_angle_gamma  12.80948
_cell_volume       451.16137
_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
  Sr1 Sr 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.60271 0.60271 0.00000 1.00000
  Dy2 Dy 0.20042 0.20042 0.00000 1.00000
  Dy3 Dy 0.79958 0.79958 0.00000 1.00000
  Dy4 Dy 0.39729 0.39729 0.00000 1.00000
  Ge1 Ge 0.52739 0.52739 0.00000 1.00000
  Ge2 Ge 0.12578 0.12578 0.00000 1.00000
  Ge3 Ge 0.72458 0.72458 0.00000 1.00000
  Ge4 Ge 0.32328 0.32328 0.00000 1.00000
  Ge5 Ge 0.92215 0.92215 0.00000 1.00000
  Ge6 Ge 0.07785 0.07785 0.00000 1.00000
  Ge7 Ge 0.67672 0.67672 0.00000 1.00000
  Ge8 Ge 0.27542 0.27542 0.00000 1.00000
  Ge9 Ge 0.87422 0.87422 0.00000 1.00000
  Ge10 Ge 0.47261 0.47261 0.00000 1.00000
  Rh1 Rh 0.55288 0.05288 0.50000 1.00000
  Rh2 Rh 0.15123 0.65123 0.50000 1.00000
  Rh3 Rh 0.75000 0.25000 0.50000 1.00000
  Rh4 Rh 0.34877 0.84877 0.50000 1.00000
  Rh5 Rh 0.94712 0.44712 0.50000 1.00000
  Rh6 Rh 0.05288 0.55288 0.50000 1.00000
  Rh7 Rh 0.65123 0.15123 0.50000 1.00000
  Rh8 Rh 0.25000 0.75000 0.50000 1.00000
  Rh9 Rh 0.84877 0.34877 0.50000 1.00000
  Rh10 Rh 0.44712 0.94712 0.50000 1.00000

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