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Eu3Rh4Pb13

Alexandria ALEX

Alex-ID: agm005277912 · Space group: Pm-3n (#223)

Basic Information

Formula
Eu3Rh4Pb13
Alex-ID
agm005277912
Elements
3
Sites
40
Space group
Pm-3n (#223)
Crystal system
cubic
Volume
1,060.58
ų
Cell a
10.1980
Å
Cell b
10.1980
Å
Cell c
10.1980
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu3Rh4Pb13
Eu
6.00 · 15.0%
Rh
8.00 · 20.0%
Pb
26.00 · 65.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2981
eV/atom
Corrected total energy
-228.7984
eV
Raw total energy
-228.7984
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0098
eV
DOS at Fermi level
69.2734
Total magnetisation
41.5860
μB

Additional Information

Prototype ID

A3B4C13_0_spg223

Decomposition

Eu3Rh4Pb13

Computed at

2022-12-13 10:07:14.834995

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: agm005277912).

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 agm005277912
data_agm005277912
_cell_length_a     10.19799
_cell_length_b     10.19799
_cell_length_c     10.19799
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       1060.57964
_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
  Eu1 Eu 0.00000 0.50000 0.75000 1.00000
  Eu2 Eu 0.50000 0.25000 0.00000 1.00000
  Eu3 Eu 0.75000 0.00000 0.50000 1.00000
  Eu4 Eu 0.00000 0.50000 0.25000 1.00000
  Eu5 Eu 0.50000 0.75000 0.00000 1.00000
  Eu6 Eu 0.25000 0.00000 0.50000 1.00000
  Rh1 Rh 0.75000 0.25000 0.75000 1.00000
  Rh2 Rh 0.25000 0.75000 0.25000 1.00000
  Rh3 Rh 0.75000 0.75000 0.25000 1.00000
  Rh4 Rh 0.25000 0.25000 0.75000 1.00000
  Rh5 Rh 0.25000 0.75000 0.75000 1.00000
  Rh6 Rh 0.75000 0.25000 0.25000 1.00000
  Rh7 Rh 0.25000 0.25000 0.25000 1.00000
  Rh8 Rh 0.75000 0.75000 0.75000 1.00000
  Pb1 Pb 0.50000 0.50000 0.50000 1.00000
  Pb2 Pb 0.00000 0.00000 0.00000 1.00000
  Pb3 Pb 0.80501 0.34447 0.50000 1.00000
  Pb4 Pb 0.65553 0.50000 0.80501 1.00000
  Pb5 Pb 0.50000 0.19499 0.65553 1.00000
  Pb6 Pb 0.19499 0.65553 0.50000 1.00000
  Pb7 Pb 0.34447 0.50000 0.19499 1.00000
  Pb8 Pb 0.50000 0.80501 0.34447 1.00000
  Pb9 Pb 0.80501 0.65553 0.50000 1.00000
  Pb10 Pb 0.65553 0.50000 0.19499 1.00000
  Pb11 Pb 0.19499 0.34447 0.50000 1.00000
  Pb12 Pb 0.34447 0.50000 0.80501 1.00000
  Pb13 Pb 0.50000 0.80501 0.65553 1.00000
  Pb14 Pb 0.50000 0.19499 0.34447 1.00000
  Pb15 Pb 0.30501 0.00000 0.84447 1.00000
  Pb16 Pb 0.15553 0.30501 0.00000 1.00000
  Pb17 Pb 0.00000 0.15553 0.69499 1.00000
  Pb18 Pb 0.69499 0.00000 0.15553 1.00000
  Pb19 Pb 0.84447 0.69499 0.00000 1.00000
  Pb20 Pb 0.00000 0.84447 0.30501 1.00000
  Pb21 Pb 0.30501 0.00000 0.15553 1.00000
  Pb22 Pb 0.15553 0.69499 0.00000 1.00000
  Pb23 Pb 0.69499 0.00000 0.84447 1.00000
  Pb24 Pb 0.84447 0.30501 0.00000 1.00000
  Pb25 Pb 0.00000 0.15553 0.30501 1.00000
  Pb26 Pb 0.00000 0.84447 0.69499 1.00000
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