Table 5 Some examples of materials with high crystallographic average dielectric constant (εavg).

From: High-throughput density functional perturbation theory and machine learning predictions of infrared, piezoelectric, and dielectric responses

Materials

Dimensionality

JID

Spg.

εavg

ZnAgF3

3D

JVASP-7792

221

92.3

CaZrN2

3D

JVASP-79475

166

87.4

Ta2ZnO6

3D

JVASP-9231

44

74.9

KCaCl3

3D

JVASP-36962

1

68.4

NbBi3O7

3D

JVASP-13286

1

62.8

PbO

2D

JVASP-29376

57

85.4

Bi2TeSe2

2D

JVASP-13955

166

80.7

WSeS

2D

JVASP-28903

164

76.5

CuSe2Cl

2D

JVASP-5827

14

61.8

TiNCl

2D

JVASP-3894

59

60.0

Sb2S3

1D

JVASP-4285

62

70.0

SbSI

1D

JVASP-5197

59

58.8

Mn(SbS2)2

1D

JVASP-32156

12

57.0

SbSBr

1D

JVASP-5191

62

56.3

SbSeI

1D

JVASP-5194

62

49.0

Ta(TeBr3)2

0D

JVASP-5662

2

15.1

Pd(SeBr3)2

0D

JVASP-4080

2

12.1

  1. Complete data is available in the Supplementary Information. Here Spg. and JID denote spacegroup and JARVIS-ID respectively.