Basic Information
Formula
MnV2Cr
MP-ID
mp-864953
Elements
3
Sites
4
Density
6.7969
g/cm³
Volume
51.02
ų
Cell a
4.1630
Å
Cell b
4.1630
Å
Cell c
4.1630
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 3)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 43.48 | 2.0815 | 100.0 | (2,1,1) |
| 63.17 | 1.4718 | 14.6 | (2,2,0) |
| 79.81 | 1.2018 | 28.0 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.14542
eV/atom
Energy/atom
-14.62938
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.6294
eV/atom
Volume/atom
12.75
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
0.6324
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.012400
μB/ų
Elastic Properties
KVRH
231.986
GPa
GVRH
93.042
GPa
Young's Modulus E
246.210
GPa
Poisson Ratio ν
0.323
Pugh Ratio K/G
2.493
Vickers Hardness Est.
6.738
GPa
Ductility
Brittle
Anisotropy
0.735
Lame λ
169.958
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7350
Homogeneous Poisson ν
0.3230
Debye Temperature
528.0
K
Sound Velocity
4,145.0
m/s
Homogeneity
0.3230
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-864953
Reference Citation
The crystal structure and related material properties of MnV2Cr were obtained from the Materials Project database (MP-ID: mp-864953, 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_MnV2Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16299950
_cell_length_b 4.16299950
_cell_length_c 4.16299950
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnV2Cr
_chemical_formula_sum 'Mn1 V2 Cr1'
_cell_volume 51.01572699
_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 0.75000000 0.75000000 0.75000000 1.0
V V1 1 -0.00000000 -0.00000000 -0.00000000 1.0
V V2 1 0.50000100 0.50000100 0.50000100 1.0
Cr Cr3 1 0.25000000 0.25000000 0.25000000 1.0
