Basic Information
Formula
MnInPd2
MP-ID
mp-31328
Elements
3
Sites
4
Density
9.7760
g/cm³
Volume
64.99
ų
Cell a
4.5128
Å
Cell b
4.5128
Å
Cell c
4.5128
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.15 | 3.6847 | 5.9 | (1,1,1) |
| 27.96 | 3.1911 | 1.6 | (1,1,0) |
| 39.96 | 2.2564 | 100.0 | (2,1,1) |
| 47.24 | 1.9243 | 3.1 | (2,2,1) |
| 57.79 | 1.5955 | 16.4 | (2,2,0) |
| 63.54 | 1.4642 | 1.3 | (3,2,2) |
| 72.57 | 1.3027 | 32.4 | (3,3,2) |
| 86.21 | 1.1282 | 10.4 | (4,2,2) |
Energy Properties
Formation Energy/atom
-0.39147
eV/atom
Energy/atom
-5.96171
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.3888
eV/atom
Volume/atom
16.25
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
4.4899
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.069090
μB/ų
Elastic Properties
KVRH
70.027
GPa
GVRH
-2.536
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
-
Pugh Ratio K/G
-27.613
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-8.769
Lame λ
71.718
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pd · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.509
Family
Pd-rich Multi-Component
Matrix Element
Pd · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-31328
Reference Citation
The crystal structure and related material properties of MnInPd2 were obtained from the Materials Project database (MP-ID: mp-31328, 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
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Raw CIF Data
# generated using pymatgen
data_MnInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51282221
_cell_length_b 4.51282221
_cell_length_c 4.51282221
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnInPd2
_chemical_formula_sum 'Mn1 In1 Pd2'
_cell_volume 64.98747685
_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 0.50000000 0.50000000 0.50000000 1.0
In In1 1 -0.00000000 0.00000000 -0.00000000 1.0
Pd Pd2 1 0.25000000 0.25000000 0.25000000 1.0
Pd Pd3 1 0.75000000 0.75000000 0.75000000 1.0
