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Mn3CoGe2

Alexandria ALEX

Alex-ID: agm017011238 · Space group: Pnma (#62)

Basic Information

Formula
Mn3CoGe2
Alex-ID
agm017011238
Elements
3
Sites
24
Space group
Pnma (#62)
Crystal system
orthorhombic
Volume
304.46
ų
Cell a
3.7399
Å
Cell b
7.6210
Å
Cell c
10.6819
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mn3CoGe2
Mn
12.00 · 50.0%
Co
4.00 · 16.7%
Ge
8.00 · 33.3%

Energy & Stability

Energy above hull
0.0917
eV/atom
Formation energy
-0.0650
eV/atom
Corrected total energy
-177.0279
eV
Raw total energy
-177.0279
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
20.4232
Total magnetisation
30.3224
μB

Additional Information

Prototype ID

AB2C3_1909_spg14

Decomposition

MnCo2Ge Mn3Ge MnGe

Computed at

2025-04-14 04:22:16

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: agm017011238).

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 agm017011238
data_agm017011238
_cell_length_a     3.73995
_cell_length_b     7.62104
_cell_length_c     10.68192
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       304.45929
_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
  Mn1 Mn 0.25000 0.42771 0.57654 1.00000
  Mn2 Mn 0.75000 0.57229 0.42346 1.00000
  Mn3 Mn 0.75000 0.92771 0.92346 1.00000
  Mn4 Mn 0.25000 0.07229 0.07654 1.00000
  Mn5 Mn 0.25000 0.74344 0.78982 1.00000
  Mn6 Mn 0.75000 0.25656 0.21018 1.00000
  Mn7 Mn 0.75000 0.24344 0.71018 1.00000
  Mn8 Mn 0.25000 0.75656 0.28982 1.00000
  Mn9 Mn 0.25000 0.40740 0.83151 1.00000
  Mn10 Mn 0.75000 0.59260 0.16849 1.00000
  Mn11 Mn 0.75000 0.90740 0.66849 1.00000
  Mn12 Mn 0.25000 0.09260 0.33151 1.00000
  Co1 Co 0.25000 0.08148 0.56602 1.00000
  Co2 Co 0.75000 0.91852 0.43398 1.00000
  Co3 Co 0.75000 0.58148 0.93398 1.00000
  Co4 Co 0.25000 0.41852 0.06602 1.00000
  Ge1 Ge 0.25000 0.73393 0.02709 1.00000
  Ge2 Ge 0.75000 0.26607 0.97291 1.00000
  Ge3 Ge 0.75000 0.23393 0.47291 1.00000
  Ge4 Ge 0.25000 0.76607 0.52709 1.00000
  Ge5 Ge 0.25000 0.06777 0.79409 1.00000
  Ge6 Ge 0.75000 0.93223 0.20591 1.00000
  Ge7 Ge 0.75000 0.56777 0.70591 1.00000
  Ge8 Ge 0.25000 0.43223 0.29409 1.00000
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