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Er2RhPb

Alexandria ALEX

Alex-ID: agm069202015 · Space group: C2/m (#12)

Basic Information

Formula
Er2RhPb
Alex-ID
agm069202015
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
197.64
ų
Cell a
7.1521
Å
Cell b
7.1521
Å
Cell c
7.6585
Å
α angle
88.53
°
β angle
91.47
°
γ angle
149.69
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Er2RhPb
Er
4.00 · 50.0%
Rh
2.00 · 25.0%
Pb
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7134
eV/atom
Corrected total energy
-46.0785
eV
Raw total energy
-46.0785
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1763
eV
DOS at Fermi level
4.3643
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_864_spg12

Decomposition

Er2RhPb

Computed at

2025-02-03 01:55:59

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: agm069202015).

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 agm069202015
data_agm069202015
_cell_length_a     7.15210
_cell_length_b     7.15210
_cell_length_c     7.65848
_cell_angle_alpha  88.53462
_cell_angle_beta   91.46538
_cell_angle_gamma  149.69050
_cell_volume       197.63553
_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
  Er1 Er 0.23557 0.76443 0.68964 1.00000
  Er2 Er 0.76443 0.23557 0.31036 1.00000
  Er3 Er 0.03382 0.96618 0.28925 1.00000
  Er4 Er 0.96618 0.03382 0.71075 1.00000
  Rh1 Rh 0.60546 0.39454 0.55593 1.00000
  Rh2 Rh 0.39454 0.60546 0.44407 1.00000
  Pb1 Pb 0.61602 0.38398 0.96645 1.00000
  Pb2 Pb 0.38398 0.61602 0.03355 1.00000
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