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Mg2RhPb4

Alexandria ALEX

Alex-ID: agm096003154 · Space group: Pmm2 (#25)

Basic Information

Formula
Mg2RhPb4
Alex-ID
agm096003154
Elements
3
Sites
7
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
181.84
ų
Cell a
4.9044
Å
Cell b
4.5642
Å
Cell c
8.1235
Å
α angle
90.01
°
β angle
90.03
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg2RhPb4
Mg
2.00 · 28.6%
Rh
1.00 · 14.3%
Pb
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1408
eV/atom
Formation energy
-0.0422
eV/atom
Corrected total energy
-25.6697
eV
Raw total energy
-25.6697
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.8384
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_610_spg6

Decomposition

Mg2Rh Pb

Computed at

2025-04-10 22:03:15

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: agm096003154).

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 agm096003154
data_agm096003154
_cell_length_a     4.90442
_cell_length_b     4.56419
_cell_length_c     8.12355
_cell_angle_alpha  90.01255
_cell_angle_beta   90.02696
_cell_angle_gamma  89.99996
_cell_volume       181.84338
_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
  Mg1 Mg 0.00002 0.07155 0.12755 1.00000
  Mg2 Mg 0.50004 0.07182 0.43619 1.00000
  Rh1 Rh 0.99994 0.57136 0.95449 1.00000
  Pb1 Pb 0.49988 0.57101 0.11790 1.00000
  Pb2 Pb 0.00017 0.07127 0.74002 1.00000
  Pb3 Pb 0.99985 0.57167 0.40079 1.00000
  Pb4 Pb 0.50010 0.57133 0.72307 1.00000
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