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Mn3GeRh

Alexandria ALEX

Alex-ID: agm002162012 · Space group: P2_13 (#198)

Alexandria Database API

Basic Information

Formula
Mn3GeRh
Alex-ID
agm002162012
Elements
3
Sites
20
Space group
P2_13 (#198)
Crystal system
cubic
Volume
284.27
ų
Cell a
6.5752
Å
Cell b
6.5752
Å
Cell c
6.5752
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mn3GeRh
Ge
4.00 · 20.0%
Mn
12.00 · 60.0%
Rh
4.00 · 20.0%

Energy & Stability

Energy above hull
0.1815
eV/atom
Formation energy
-0.0429
eV/atom
Corrected total energy
-158.7679
eV
Raw total energy
-158.7679
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0116
eV
DOS at Fermi level
8.1705
Total magnetisation
40.0000
μB

Additional Information

Prototype ID

ABC3_315_spg198

Decomposition

MnGeRh Mn

Computed at

2017-04-14 04:49:00

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: agm002162012).

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 agm002162012
data_agm002162012
_cell_length_a     6.57520
_cell_length_b     6.57520
_cell_length_c     6.57520
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       284.26734
_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
  Ge1 Ge 0.93834 0.56166 0.43834 1.00000
  Ge2 Ge 0.56166 0.43834 0.93834 1.00000
  Ge3 Ge 0.43834 0.93834 0.56166 1.00000
  Ge4 Ge 0.06166 0.06166 0.06166 1.00000
  Mn1 Mn 0.12197 0.20596 0.45223 1.00000
  Mn2 Mn 0.45223 0.12197 0.20596 1.00000
  Mn3 Mn 0.20596 0.45223 0.12197 1.00000
  Mn4 Mn 0.29404 0.54777 0.62197 1.00000
  Mn5 Mn 0.95223 0.37803 0.79404 1.00000
  Mn6 Mn 0.79404 0.95223 0.37803 1.00000
  Mn7 Mn 0.04777 0.87803 0.70596 1.00000
  Mn8 Mn 0.54777 0.62197 0.29404 1.00000
  Mn9 Mn 0.70596 0.04777 0.87803 1.00000
  Mn10 Mn 0.62197 0.29404 0.54777 1.00000
  Mn11 Mn 0.87803 0.70596 0.04777 1.00000
  Mn12 Mn 0.37803 0.79404 0.95223 1.00000
  Rh1 Rh 0.31210 0.18790 0.81210 1.00000
  Rh2 Rh 0.18790 0.81210 0.31210 1.00000
  Rh3 Rh 0.81210 0.31210 0.18790 1.00000
  Rh4 Rh 0.68790 0.68790 0.68790 1.00000
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