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RhPb8

Alexandria ALEX

Alex-ID: agm071498029 · Space group: P4_332 (#212)

Basic Information

Formula
RhPb8
Alex-ID
agm071498029
Elements
2
Sites
36
Space group
P4_332 (#212)
Crystal system
cubic
Volume
1,068.46
ų
Cell a
10.2232
Å
Cell b
10.2232
Å
Cell c
10.2232
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RhPb8
Rh
4.00 · 11.1%
Pb
32.00 · 88.9%

Energy & Stability

Energy above hull
0.0677
eV/atom
Formation energy
0.0265
eV/atom
Corrected total energy
-147.1179
eV
Raw total energy
-147.1179
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
25.4289
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB8_258_spg212

Decomposition

RhPb4 Pb

Computed at

2024-09-10 11:20:44.862830

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: agm071498029).

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
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm071498029
data_agm071498029
_cell_length_a     10.22318
_cell_length_b     10.22318
_cell_length_c     10.22318
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1068.45787
_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
  Rh1 Rh 0.62500 0.62500 0.62500 1.00000
  Rh2 Rh 0.87500 0.37500 0.12500 1.00000
  Rh3 Rh 0.37500 0.12500 0.87500 1.00000
  Rh4 Rh 0.12500 0.87500 0.37500 1.00000
  Pb1 Pb 0.39542 0.86737 0.37466 1.00000
  Pb2 Pb 0.10458 0.13263 0.87466 1.00000
  Pb3 Pb 0.60458 0.36737 0.12534 1.00000
  Pb4 Pb 0.89542 0.63263 0.62534 1.00000
  Pb5 Pb 0.37466 0.39542 0.86737 1.00000
  Pb6 Pb 0.87466 0.10458 0.13263 1.00000
  Pb7 Pb 0.12534 0.60458 0.36737 1.00000
  Pb8 Pb 0.62534 0.89542 0.63263 1.00000
  Pb9 Pb 0.86737 0.37466 0.39542 1.00000
  Pb10 Pb 0.13263 0.87466 0.10458 1.00000
  Pb11 Pb 0.36737 0.12534 0.60458 1.00000
  Pb12 Pb 0.63263 0.62534 0.89542 1.00000
  Pb13 Pb 0.11737 0.14542 0.37534 1.00000
  Pb14 Pb 0.38263 0.85458 0.87534 1.00000
  Pb15 Pb 0.61737 0.35458 0.62466 1.00000
  Pb16 Pb 0.88263 0.64542 0.12466 1.00000
  Pb17 Pb 0.64542 0.12466 0.88263 1.00000
  Pb18 Pb 0.35458 0.62466 0.61737 1.00000
  Pb19 Pb 0.85458 0.87534 0.38263 1.00000
  Pb20 Pb 0.14542 0.37534 0.11737 1.00000
  Pb21 Pb 0.62466 0.61737 0.35458 1.00000
  Pb22 Pb 0.12466 0.88263 0.64542 1.00000
  Pb23 Pb 0.37534 0.11737 0.14542 1.00000
  Pb24 Pb 0.87534 0.38263 0.85458 1.00000
  Pb25 Pb 0.37271 0.37271 0.37271 1.00000
  Pb26 Pb 0.12729 0.62729 0.87271 1.00000
  Pb27 Pb 0.62729 0.87271 0.12729 1.00000
  Pb28 Pb 0.87271 0.12729 0.62729 1.00000
  Pb29 Pb 0.62271 0.12271 0.37729 1.00000
  Pb30 Pb 0.87729 0.87729 0.87729 1.00000
  Pb31 Pb 0.12271 0.37729 0.62271 1.00000
  Pb32 Pb 0.37729 0.62271 0.12271 1.00000
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