Sm5(RhPb2)2

Alexandria ALEX

Alex-ID: agm030252576 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula

Sm5(RhPb2)2

Alex-ID

agm030252576

Elements

Sites

Space group

Pbam (#55)

Crystal system

orthorhombic

Volume

582.25

Å³

Cell a

3.7866

Cell b

8.2803

Cell c

18.5702

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Sm5(RhPb2)2

10.00 · 45.5%

4.00 · 18.2%

8.00 · 36.4%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-0.6343

eV/atom

Corrected total energy

-120.2614

Raw total energy

-120.2614

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

14.3350

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A2B4C5_650_spg55

Decomposition

Sm5(RhPb2)2

Computed at

2025-02-28 16:58:22

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: agm030252576).

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 agm030252576
data_agm030252576
_cell_length_a     3.78657
_cell_length_b     8.28034
_cell_length_c     18.57016
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       582.25107
_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
  Sm1 Sm 0.00000 0.00000 0.00000 1.00000
  Sm2 Sm 0.00000 0.50000 0.50000 1.00000
  Sm3 Sm 0.00000 0.76705 0.21784 1.00000
  Sm4 Sm 0.00000 0.23295 0.78216 1.00000
  Sm5 Sm 0.00000 0.26705 0.28216 1.00000
  Sm6 Sm 0.00000 0.73295 0.71784 1.00000
  Sm7 Sm 0.00000 0.88913 0.41145 1.00000
  Sm8 Sm 0.00000 0.11087 0.58855 1.00000
  Sm9 Sm 0.00000 0.38913 0.08855 1.00000
  Sm10 Sm 0.00000 0.61087 0.91145 1.00000
  Rh1 Rh 0.50000 0.98463 0.30606 1.00000
  Rh2 Rh 0.50000 0.01537 0.69394 1.00000
  Rh3 Rh 0.50000 0.48463 0.19394 1.00000
  Rh4 Rh 0.50000 0.51537 0.80606 1.00000
  Pb1 Pb 0.50000 0.79183 0.56566 1.00000
  Pb2 Pb 0.50000 0.20817 0.43434 1.00000
  Pb3 Pb 0.50000 0.29183 0.93434 1.00000
  Pb4 Pb 0.50000 0.70817 0.06566 1.00000
  Pb5 Pb 0.50000 0.90866 0.84667 1.00000
  Pb6 Pb 0.50000 0.09134 0.15333 1.00000
  Pb7 Pb 0.50000 0.40866 0.65333 1.00000
  Pb8 Pb 0.50000 0.59134 0.34667 1.00000

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