VPt
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1017531 · Space group: Pmma (#51)
Basic Information
Formula
VPt
MP-ID
mp-1017531
Elements
2
Sites
4
Density
14.5307
g/cm³
Volume
56.23
ų
Cell a
4.3927
Å
Cell b
2.6824
Å
Cell c
4.7722
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.59 | 4.7722 | 14.5 | (0,0,1) |
| 27.60 | 3.2320 | 60.2 | (1,0,1) |
| 33.40 | 2.6824 | 22.3 | (0,1,0) |
| 37.70 | 2.3861 | 18.3 | (0,0,2) |
| 38.50 | 2.3383 | 16.9 | (0,1,1) |
| 41.10 | 2.1964 | 37.2 | (2,0,0) |
| 43.14 | 2.0967 | 39.5 | (1,0,2) |
| 43.86 | 2.0641 | 100.0 | (1,1,1) |
| 45.46 | 1.9952 | 3.2 | (2,0,1) |
| 51.24 | 1.7828 | 6.5 | (0,1,2) |
| 53.96 | 1.6994 | 12.3 | (2,1,0) |
| 55.64 | 1.6520 | 12.4 | (1,1,2) |
| 56.99 | 1.6160 | 10.9 | (2,0,2) |
| 57.57 | 1.6009 | 10.3 | (2,1,1) |
| 57.98 | 1.5907 | 4.6 | (0,0,3) |
| 66.83 | 1.3998 | 5.6 | (3,0,1) |
| 67.69 | 1.3842 | 5.8 | (2,1,2) |
| 68.59 | 1.3682 | 15.2 | (0,1,3) |
| 70.17 | 1.3412 | 7.5 | (0,2,0) |
| 72.33 | 1.3063 | 1.4 | (1,1,3) |
| 73.51 | 1.2883 | 4.7 | (2,0,3) |
| 76.30 | 1.2480 | 7.2 | (3,0,2) |
| 76.81 | 1.2410 | 19.0 | (3,1,1) |
| 76.97 | 1.2388 | 7.6 | (1,2,1) |
Energy Properties
Formation Energy/atom
-0.55006
eV/atom
Energy/atom
-8.12758
eV/atom
Energy above Hull
0.0003
eV/atom
Uncorrected Energy
-33.3900
eV/atom
Volume/atom
14.06
ų
c/a Ratio
1.0864
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0138
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000240
μB/ų
Elastic Properties
KVRH
236.927
GPa
GVRH
116.114
GPa
Young's Modulus E
299.427
GPa
Poisson Ratio ν
0.289
Pugh Ratio K/G
2.040
Vickers Hardness Est.
11.015
GPa
Ductility
Brittle
Anisotropy
0.478
Lame λ
159.518
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.789
Family
Binary Alloy
Matrix Element
V · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4780
Homogeneous Poisson ν
0.2890
Debye Temperature
388.9
K
Sound Velocity
3,153.3
m/s
Homogeneity
0.2890
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017531
Reference Citation
The crystal structure and related material properties of VPt were obtained from the Materials Project database (MP-ID: mp-1017531, 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_VPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39269201
_cell_length_b 2.68240384
_cell_length_c 4.77219861
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VPt
_chemical_formula_sum 'V2 Pt2'
_cell_volume 56.23069174
_cell_formula_units_Z 2
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
V V0 1 0.25000000 -0.00000000 0.17051655 1.0
V V1 1 0.75000000 -0.00000000 0.82948345 1.0
Pt Pt2 1 0.25000000 0.50000000 0.68046875 1.0
Pt Pt3 1 0.75000000 0.50000000 0.31953125 1.0
