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Mn2Zn3Pt

Alexandria ALEX

Alex-ID: agm014003753 · Space group: Cm (#8)

Basic Information

Formula
Mn2Zn3Pt
Alex-ID
agm014003753
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
85.54
ų
Cell a
4.6742
Å
Cell b
4.6742
Å
Cell c
5.4247
Å
α angle
73.21
°
β angle
106.79
°
γ angle
130.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mn2Zn3Pt
Mn
2.00 · 33.3%
Zn
3.00 · 50.0%
Pt
1.00 · 16.7%

Energy & Stability

Energy above hull
0.1078
eV/atom
Formation energy
-0.1481
eV/atom
Corrected total energy
-29.1506
eV
Raw total energy
-29.1506
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0195
eV
DOS at Fermi level
2.5223
Total magnetisation
6.9505
μB

Additional Information

Prototype ID

AB2C3_1900_spg8

Decomposition

Zn3Pt Mn

Computed at

2025-04-14 03:33:15

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: agm014003753).

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 agm014003753
data_agm014003753
_cell_length_a     4.67422
_cell_length_b     4.67422
_cell_length_c     5.42472
_cell_angle_alpha  73.21085
_cell_angle_beta   106.78915
_cell_angle_gamma  130.42153
_cell_volume       85.54046
_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 0.50326 0.49674 0.74924 1.00000
  Mn2 Mn 0.49708 0.50292 0.25026 1.00000
  Zn1 Zn 0.16632 0.83368 0.58294 1.00000
  Zn2 Zn 0.16597 0.83403 0.08495 1.00000
  Zn3 Zn 0.84051 0.15949 0.92074 1.00000
  Pt1 Pt 0.83016 0.16984 0.41839 1.00000
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