Navigation

HEAS Data Platform · Materials Science Database

Mn3Pt

传统材料 TRA

MP-ID: mp-30785 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula
Mn3Pt
MP-ID
mp-30785
Elements
2
Sites
4
Density
10.1588
g/cm³
Volume
58.83
ų
Cell a
3.8892
Å
Cell b
3.8892
Å
Cell c
3.8892
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 11)
2θd (Å)Ihkl
22.87 3.8892 44.3 (1,0,0)
32.56 2.7501 37.4 (1,1,0)
40.16 2.2454 100.0 (1,1,1)
46.71 1.9446 48.0 (2,0,0)
52.62 1.7393 20.8 (2,1,0)
58.10 1.5878 15.7 (2,1,1)
68.20 1.3751 29.7 (2,2,0)
72.98 1.2964 10.3 (2,2,1)
77.63 1.2299 7.1 (3,1,0)
82.21 1.1726 35.1 (3,1,1)
86.73 1.1227 10.3 (2,2,2)
Get direct link

Energy Properties

Formation Energy/atom
0.06402
eV/atom
Energy/atom
-8.32527
eV/atom
Energy above Hull
0.2371
eV/atom
Uncorrected Energy
-8.3253
eV/atom
Volume/atom
14.71
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
10.7928
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.183460
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.728
Family
Binary Alloy
Matrix Element
Mn · 0.750

Related Tasks

Related computation task IDs (5)
aaadmwjj aaadsxkp aaadxzfm aaaeuofg aaafwwhq

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30785
Reference Citation

The crystal structure and related material properties of Mn3Pt were obtained from the Materials Project database (MP-ID: mp-30785, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Mn3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88922100
_cell_length_b   3.88922100
_cell_length_c   3.88922100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Pt
_chemical_formula_sum   'Mn3 Pt1'
_cell_volume   58.82851236
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.50000000  1.0
  Pt  Pt3  1  0.00000000  0.00000000  0.00000000  1.0
Get direct link