Ag2P2PbO7
High-Entropy Materials HEAMP-ID: mp-667579 · Space group: P-1 (#2)
Basic Information
Formula
Ag2P2PbO7
MP-ID
mp-667579
Elements
4
Sites
24
Density
5.5858
g/cm³
Volume
354.88
ų
Cell a
5.5062
Å
Cell b
7.1052
Å
Cell c
10.4241
Å
α Angle
107.92
°
β Angle
93.27
°
γ Angle
111.32
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 13.98 | 6.3357 | 1.4 | (0,1,-1) |
| 17.61 | 5.0357 | 3.0 | (1,0,0) |
| 17.69 | 5.0134 | 22.3 | (1,-1,0) |
| 18.22 | 4.8685 | 1.4 | (0,0,2) |
| 18.23 | 4.8670 | 8.4 | (1,0,-1) |
| 18.79 | 4.7222 | 23.5 | (0,1,-2) |
| 19.12 | 4.6428 | 11.0 | (1,-1,1) |
| 19.52 | 4.5488 | 1.1 | (0,1,1) |
| 20.69 | 4.2924 | 1.1 | (1,-1,-1) |
| 21.35 | 4.1613 | 5.3 | (1,0,1) |
| 22.86 | 3.8898 | 100.0 | (1,0,-2) |
| 26.11 | 3.4125 | 12.5 | (0,1,-3) |
| 26.31 | 3.3868 | 14.1 | (1,-2,1) |
| 26.72 | 3.3360 | 1.1 | (1,-1,-2) |
| 26.93 | 3.3107 | 11.8 | (1,1,0) |
| 27.00 | 3.3026 | 16.6 | (0,1,2) |
| 27.48 | 3.2457 | 7.4 | (0,0,3) |
| 27.81 | 3.2082 | 3.4 | (1,0,2) |
| 28.17 | 3.1678 | 2.5 | (0,2,-2) |
| 28.83 | 3.0965 | 61.6 | (0,2,0) |
| 29.77 | 3.0007 | 3.6 | (1,0,-3) |
| 30.78 | 2.9052 | 7.3 | (1,-2,-1) |
| 31.14 | 2.8718 | 4.9 | (1,1,1) |
| 31.36 | 2.8526 | 20.2 | (1,-1,3) |
Energy Properties
Formation Energy/atom
-0.20261
eV/atom
Energy/atom
-4.77471
eV/atom
Energy above Hull
1.7841
eV/atom
Uncorrected Energy
-4.3740
eV/atom
Volume/atom
14.79
ų
c/a Ratio
1.8932
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.583
Element Family
Metalloid-Nonmetal
Solute Fraction
0.417
Interstitial Fraction
0.167
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1187
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3012
J/mol·K
Ω Parameter
0.8120
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
44.540%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6617
smaller = more stable mixing
VEC
5.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.903
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8070
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-667579
Reference Citation
The crystal structure and related material properties of Ag2P2PbO7 were obtained from the Materials Project database (MP-ID: mp-667579, 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_Ag2P2PbO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50616300
_cell_length_b 7.10518209
_cell_length_c 10.42408429
_cell_angle_alpha 107.91683710
_cell_angle_beta 93.26550096
_cell_angle_gamma 111.31539716
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag2P2PbO7
_chemical_formula_sum 'Ag4 P4 Pb2 O14'
_cell_volume 354.87834574
_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 0.46949100 0.70231600 0.19368200 1.0
Ag Ag1 1 0.93521200 0.25684600 0.97305100 1.0
Ag Ag2 1 0.06478800 0.74315400 0.02694900 1.0
Ag Ag3 1 0.53050900 0.29768400 0.80631800 1.0
P P4 1 0.32712400 0.20149200 0.16339900 1.0
P P5 1 0.67287600 0.79850800 0.83660100 1.0
P P6 1 0.09166700 0.20906600 0.63823000 1.0
P P7 1 0.90833300 0.79093400 0.36177000 1.0
Pb Pb8 1 0.22575000 0.73624600 0.63097500 1.0
Pb Pb9 1 0.77425000 0.26375400 0.36902500 1.0
O O10 1 0.05372500 0.35630400 0.72742700 1.0
O O11 1 0.73649800 0.88375500 0.95571900 1.0
O O12 1 0.68554100 0.86452000 0.34086600 1.0
O O13 1 0.36555000 0.69735000 0.85115200 1.0
O O14 1 0.94627500 0.64369600 0.27257300 1.0
O O15 1 0.81272600 0.65023700 0.80677100 1.0
O O16 1 0.18727400 0.34976300 0.19322900 1.0
O O17 1 0.79818100 0.99779500 0.69746600 1.0
O O18 1 0.20181900 0.00220500 0.30253400 1.0
O O19 1 0.12354000 0.30253100 0.48942600 1.0
O O20 1 0.87646000 0.69746900 0.51057400 1.0
O O21 1 0.31445900 0.13548000 0.65913400 1.0
O O22 1 0.63445000 0.30265000 0.14884800 1.0
O O23 1 0.26350200 0.11624500 0.04428100 1.0
