Navigation

HEAS Data Platform · Materials Science Database

AgPb3

传统材料 TRA

MP-ID: mp-985702 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
AgPb3
MP-ID
mp-985702
Elements
2
Sites
8
Density
10.5425
g/cm³
Volume
229.80
ų
Cell a
6.9057
Å
Cell b
6.9057
Å
Cell c
5.5642
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 21)
2θd (Å)Ihkl
21.82 4.0737 6.0 (1,0,-1,1)
25.80 3.4528 2.0 (2,-1,-1,0)
29.88 2.9902 23.3 (2,0,-2,0)
32.17 2.7821 25.9 (0,0,0,2)
34.04 2.6340 100.0 (2,0,-2,1)
39.88 2.2604 1.2 (3,-1,-2,0)
41.69 2.1664 1.3 (2,-1,-1,2)
44.48 2.0369 16.0 (2,0,-2,2)
53.04 1.7264 19.0 (4,-2,-2,0)
58.56 1.5762 21.4 (2,0,-2,3)
62.08 1.4951 2.9 (4,0,-4,0)
63.41 1.4669 22.3 (4,-2,-2,2)
64.54 1.4439 15.8 (4,0,-4,1)
67.31 1.3911 3.2 (0,0,0,4)
71.66 1.3170 1.3 (4,-4,0,2)
71.66 1.3170 2.6 (4,0,-4,2)
75.36 1.2613 3.5 (2,0,-2,4)
82.95 1.1640 8.2 (4,0,-4,3)
86.02 1.1302 1.7 (6,-2,-4,0)
88.22 1.1076 4.7 (6,-4,-2,1)
88.22 1.1076 9.5 (6,-2,-4,1)
Get direct link

Energy Properties

Formation Energy/atom
0.09291
eV/atom
Energy/atom
-47.45991
eV/atom
Energy above Hull
0.0929
eV/atom
Uncorrected Energy
-3.3997
eV/atom
Volume/atom
28.72
ų
c/a Ratio
0.8057

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.869
Family
Binary Alloy
Matrix Element
Pb · 0.750

Related Tasks

Related computation task IDs (5)
aaadoikr aaadverv aaadxacs aaaeqhlp aaafbgda

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-985702
Reference Citation

The crystal structure and related material properties of AgPb3 were obtained from the Materials Project database (MP-ID: mp-985702, 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_AgPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90566447
_cell_length_b   6.90566447
_cell_length_c   5.56419100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPb3
_chemical_formula_sum   'Ag2 Pb6'
_cell_volume   229.79659435
_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
  Ag  Ag0  1  0.33333300  0.66666700  0.75000000  1.0
  Ag  Ag1  1  0.66666700  0.33333300  0.25000000  1.0
  Pb  Pb2  1  0.17111300  0.34222700  0.25000000  1.0
  Pb  Pb3  1  0.65777400  0.82888700  0.25000000  1.0
  Pb  Pb4  1  0.17111300  0.82888700  0.25000000  1.0
  Pb  Pb5  1  0.82888700  0.65777400  0.75000000  1.0
  Pb  Pb6  1  0.34222700  0.17111300  0.75000000  1.0
  Pb  Pb7  1  0.82888700  0.17111300  0.75000000  1.0
Get direct link