Ag2TeO4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-893071 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Ag2TeO4

MP-ID

mp-893071

Elements

Sites

Density

5.9551

g/cm³

Volume

227.17

Å³

Cell a

6.2098

Cell b

6.2401

Cell c

7.3132

α Angle

103.50

β Angle

103.99

γ Angle

116.18

Space Group

C2/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
21.55	4.1233	5.1	(1,-1,-1)
21.71	4.0933	5.4	(1,-1,1)
27.30	3.2662	100.0	(0,0,2)
29.45	3.0326	50.7	(1,-2,0)
29.55	3.0234	47.1	(1,-2,1)
29.59	3.0194	44.8	(2,-1,-1)
29.67	3.0108	51.9	(2,-1,0)
30.41	2.9392	81.3	(1,1,0)
30.42	2.9383	80.7	(1,1,-2)
32.12	2.7864	1.1	(2,0,-1)
33.93	2.6420	6.7	(2,-2,0)
34.81	2.5776	1.1	(0,2,0)
34.92	2.5696	1.4	(0,2,-2)
34.96	2.5663	1.6	(2,0,-2)
35.33	2.5406	20.4	(1,-2,-1)
35.45	2.5324	21.6	(2,-1,-2)
35.57	2.5243	20.2	(1,-2,2)
35.67	2.5172	18.6	(2,-1,1)
45.15	2.0080	18.1	(1,-2,-2)
45.25	2.0039	16.2	(2,-1,-3)
45.47	1.9946	16.8	(1,-2,3)
45.55	1.9913	17.9	(2,-1,2)
45.74	1.9837	1.1	(3,-2,0)
49.28	1.8490	12.5	(0,3,-1)

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Energy Properties

Formation Energy/atom

-0.87623

eV/atom

Energy/atom

-4.96495

eV/atom

Energy above Hull

0.0883

eV/atom

Uncorrected Energy

-4.5724

eV/atom

Volume/atom

16.23

Å³

c/a Ratio

1.1777

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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 · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

42.889%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.7211

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.477

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (3)

aaabznrx aaadbqlt aaadunkv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-893071

Reference Citation

The crystal structure and related material properties of Ag2TeO4 were obtained from the Materials Project database (MP-ID: mp-893071, 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…

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Raw CIF Data

# generated using pymatgen
data_Ag2TeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20979300
_cell_length_b   6.24013364
_cell_length_c   7.31317213
_cell_angle_alpha   103.50180827
_cell_angle_beta   103.99422310
_cell_angle_gamma   116.17701316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2TeO4
_chemical_formula_sum   'Ag4 Te2 O8'
_cell_volume   227.16555139
_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  0.97976800  0.52869800  0.75103300  1.0
  Ag  Ag1  1  0.28294200  0.22111200  0.74922400  1.0
  Ag  Ag2  1  0.02023200  0.47130200  0.24896700  1.0
  Ag  Ag3  1  0.71705800  0.77888800  0.25077600  1.0
  Te  Te4  1  0.37784900  0.12305400  0.25078800  1.0
  Te  Te5  1  0.62215100  0.87694600  0.74921200  1.0
  O  O6  1  0.72782200  0.25431400  0.40801700  1.0
  O  O7  1  0.34971900  0.31066100  0.09042500  1.0
  O  O8  1  0.18784500  0.15166300  0.40764600  1.0
  O  O9  1  0.24527800  0.77553700  0.09517200  1.0
  O  O10  1  0.75472200  0.22446300  0.90482800  1.0
  O  O11  1  0.81215500  0.84833700  0.59235400  1.0
  O  O12  1  0.65028100  0.68933900  0.90957500  1.0
  O  O13  1  0.27217800  0.74568600  0.59198300  1.0

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