V3Pb
传统材料 TRAMP-ID: mp-30830 · Space group: Pm-3n (#223)
Basic Information
Formula
V3Pb
MP-ID
mp-30830
Elements
2
Sites
8
Density
9.4092
g/cm³
Volume
127.08
ų
Cell a
5.0275
Å
Cell b
5.0275
Å
Cell c
5.0275
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3n
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 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.05 | 3.5550 | 78.8 | (1,1,0) |
| 35.72 | 2.5138 | 45.1 | (2,0,0) |
| 40.10 | 2.2484 | 19.7 | (2,1,0) |
| 44.12 | 2.0525 | 100.0 | (2,1,1) |
| 51.41 | 1.7775 | 12.5 | (2,2,0) |
| 58.01 | 1.5898 | 17.8 | (3,1,0) |
| 67.13 | 1.3944 | 3.7 | (3,2,0) |
| 70.02 | 1.3437 | 50.8 | (3,2,1) |
| 75.67 | 1.2569 | 9.4 | (4,0,0) |
| 81.17 | 1.1850 | 11.1 | (4,1,1) |
| 86.59 | 1.1242 | 15.0 | (4,2,0) |
| 89.29 | 1.0971 | 3.2 | (4,2,1) |
Energy Properties
Formation Energy/atom
0.24781
eV/atom
Energy/atom
-24.39065
eV/atom
Energy above Hull
0.2478
eV/atom
Uncorrected Energy
-7.4933
eV/atom
Volume/atom
15.88
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0083
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.721
Family
Binary Alloy
Matrix Element
V · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30830
Reference Citation
The crystal structure and related material properties of V3Pb were obtained from the Materials Project database (MP-ID: mp-30830, 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_V3Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02751700
_cell_length_b 5.02751700
_cell_length_c 5.02751700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V3Pb
_chemical_formula_sum 'V6 Pb2'
_cell_volume 127.07515361
_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 0.50000000 0.25000000 0.00000000 1.0
V V1 1 0.50000000 0.75000000 0.00000000 1.0
V V2 1 0.25000000 0.00000000 0.50000000 1.0
V V3 1 0.75000000 0.00000000 0.50000000 1.0
V V4 1 0.00000000 0.50000000 0.25000000 1.0
V V5 1 0.00000000 0.50000000 0.75000000 1.0
Pb Pb6 1 0.50000000 0.50000000 0.50000000 1.0
Pb Pb7 1 0.00000000 0.00000000 0.00000000 1.0
