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Mg7(AgRh)2

Alexandria ALEX

Alex-ID: agm003323908 · Space group: Cmmm (#65)

Basic Information

Formula
Mg7(AgRh)2
Alex-ID
agm003323908
Elements
3
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
219.76
ų
Cell a
5.7345
Å
Cell b
7.5583
Å
Cell c
5.7345
Å
α angle
90.00
°
β angle
117.85
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mg7(AgRh)2
Mg
7.00 · 63.6%
Ag
2.00 · 18.2%
Rh
2.00 · 18.2%

Energy & Stability

Energy above hull
0.2034
eV/atom
Formation energy
-0.1353
eV/atom
Corrected total energy
-33.0560
eV
Raw total energy
-33.0560
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0185
eV
DOS at Fermi level
3.1012
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_245_spg65

Decomposition

Mg5Rh2 MgAg

Computed at

2022-01-29 11:29:21.987295

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: agm003323908).

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 agm003323908
data_agm003323908
_cell_length_a     5.73449
_cell_length_b     7.55830
_cell_length_c     5.73449
_cell_angle_alpha  90.00027
_cell_angle_beta   117.84894
_cell_angle_gamma  89.99973
_cell_volume       219.76308
_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 1.00000 0.29182 0.50000 1.00000
  Mg2 Mg 0.50000 0.70818 1.00000 1.00000
  Mg3 Mg 0.00000 0.70818 0.50000 1.00000
  Mg4 Mg 0.50000 0.29182 0.00000 1.00000
  Mg5 Mg 0.00000 0.00000 0.00000 1.00000
  Mg6 Mg 0.50000 0.81184 0.50000 1.00000
  Mg7 Mg 0.50000 0.18816 0.50000 1.00000
  Ag1 Ag 0.76392 0.50000 0.76392 1.00000
  Ag2 Ag 0.23608 0.50000 0.23608 1.00000
  Rh1 Rh 0.72412 0.00000 0.27588 1.00000
  Rh2 Rh 0.27588 1.00000 0.72412 1.00000
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