Ag9(PbO3)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-675327 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Ag9(PbO3)4

MP-ID

mp-675327

Elements

Sites

Density

8.1320

g/cm³

Volume

813.37

Å³

Cell a

10.4420

Cell b

8.8284

Cell c

12.0067

α Angle

47.29

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.14	6.7394	7.5	(1,0,1)
13.16	6.7299	5.8	(1,1,1)
13.65	6.4876	24.5	(0,1,0)
14.76	6.0033	2.2	(0,1,2)
16.98	5.2210	2.1	(2,0,0)
17.04	5.2045	16.0	(1,1,2)
20.13	4.4116	2.3	(0,0,2)
20.18	4.4009	2.2	(0,2,2)
21.85	4.0674	27.2	(2,1,0)
21.87	4.0638	11.4	(1,0,2)
21.92	4.0555	10.3	(1,2,2)
22.57	3.9396	2.5	(2,1,2)
23.45	3.7939	3.8	(1,1,-1)
23.48	3.7889	3.4	(1,2,1)
24.78	3.5933	3.5	(1,1,3)
24.81	3.5890	2.4	(1,2,3)
26.45	3.3697	2.6	(2,0,2)
26.49	3.3650	2.0	(2,2,2)
27.50	3.2438	38.0	(0,2,0)
27.55	3.2378	2.2	(3,0,1)
27.56	3.2368	2.1	(3,1,1)
29.67	3.0112	92.1	(3,1,2)
29.76	3.0017	57.7	(0,2,4)
32.49	2.7555	90.7	(1,1,-2)

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Energy Properties

Formation Energy/atom

-0.81763

eV/atom

Energy/atom

-4.81013

eV/atom

Energy above Hull

0.0052

eV/atom

Uncorrected Energy

-4.4804

eV/atom

Volume/atom

16.27

Å³

c/a Ratio

1.1499

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0016

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.480

Element Family

Metalloid-Nonmetal

Solute Fraction

0.520

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0133

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4247

J/mol·K

Ω Parameter

10.3663

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

44.051%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7056

smaller = more stable mixing

VEC

6.520

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.461

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9224

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.507

Family

O-rich Multi-Component

Matrix Element

O · 0.480

Related Tasks

Related computation task IDs (2)

aaacbych aaaedvvw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-675327

Reference Citation

The crystal structure and related material properties of Ag9(PbO3)4 were obtained from the Materials Project database (MP-ID: mp-675327, 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_Ag9(PbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.44199200
_cell_length_b   8.82837500
_cell_length_c   12.00666661
_cell_angle_alpha   47.29474715
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag9(PbO3)4
_chemical_formula_sum   'Ag18 Pb8 O24'
_cell_volume   813.36729955
_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  0.74783700  0.00259100  0.62247200  1.0
  Ag  Ag1  1  0.00000000  0.00000000  0.50000000  1.0
  Ag  Ag2  1  0.74394800  0.23216300  0.25991800  1.0
  Ag  Ag3  1  0.25216300  0.99740900  0.37752800  1.0
  Ag  Ag4  1  0.99997800  0.00008800  0.24843400  1.0
  Ag  Ag5  1  0.49997800  0.99991200  0.25156600  1.0
  Ag  Ag6  1  0.25605200  0.76783700  0.74008200  1.0
  Ag  Ag7  1  0.75216300  0.00259100  0.12247200  1.0
  Ag  Ag8  1  0.25039100  0.24044500  0.00535100  1.0
  Ag  Ag9  1  0.50000000  0.00000000  0.00000000  1.0
  Ag  Ag10  1  0.24783700  0.99740900  0.87752800  1.0
  Ag  Ag11  1  0.75605200  0.23216300  0.75991800  1.0
  Ag  Ag12  1  0.75039100  0.75955500  0.49464900  1.0
  Ag  Ag13  1  0.00002200  0.99991200  0.75156600  1.0
  Ag  Ag14  1  0.50002200  0.00008800  0.74843400  1.0
  Ag  Ag15  1  0.24394800  0.76783700  0.24008200  1.0
  Ag  Ag16  1  0.24960900  0.24044500  0.50535100  1.0
  Ag  Ag17  1  0.74960900  0.75955500  0.99464900  1.0
  Pb  Pb18  1  0.08364500  0.50481800  0.12400900  1.0
  Pb  Pb19  1  0.91635500  0.49518200  0.87599100  1.0
  Pb  Pb20  1  0.58063000  0.50647400  0.86939200  1.0
  Pb  Pb21  1  0.41635500  0.50481800  0.62400900  1.0
  Pb  Pb22  1  0.08063000  0.49352600  0.63060800  1.0
  Pb  Pb23  1  0.91937000  0.50647400  0.36939200  1.0
  Pb  Pb24  1  0.58364500  0.49518200  0.37599100  1.0
  Pb  Pb25  1  0.41937000  0.49352600  0.13060800  1.0
  O  O26  1  0.25084900  0.30657400  0.28346200  1.0
  O  O27  1  0.56070100  0.69132900  0.93528600  1.0
  O  O28  1  0.93788300  0.69071900  0.93326200  1.0
  O  O29  1  0.06211700  0.30928100  0.06673800  1.0
  O  O30  1  0.43929900  0.30867100  0.06471400  1.0
  O  O31  1  0.74762100  0.31240200  0.02942300  1.0
  O  O32  1  0.74915100  0.69342600  0.71653800  1.0
  O  O33  1  0.06371300  0.69212000  0.68604100  1.0
  O  O34  1  0.43574000  0.68720100  0.68863200  1.0
  O  O35  1  0.56371300  0.30788000  0.81395900  1.0
  O  O36  1  0.93574000  0.31279900  0.81136800  1.0
  O  O37  1  0.24915100  0.30657400  0.78346200  1.0
  O  O38  1  0.24762100  0.68759800  0.47057700  1.0
  O  O39  1  0.56211700  0.69071900  0.43326200  1.0
  O  O40  1  0.93929900  0.69132900  0.43528600  1.0
  O  O41  1  0.06070100  0.30867100  0.56471400  1.0
  O  O42  1  0.43788300  0.30928100  0.56673800  1.0
  O  O43  1  0.75237900  0.31240200  0.52942300  1.0
  O  O44  1  0.75084900  0.69342600  0.21653800  1.0
  O  O45  1  0.06426000  0.68720100  0.18863200  1.0
  O  O46  1  0.43628700  0.69212000  0.18604100  1.0
  O  O47  1  0.56426000  0.31279900  0.31136800  1.0
  O  O48  1  0.93628700  0.30788000  0.31395900  1.0
  O  O49  1  0.25237900  0.68759800  0.97057700  1.0

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