Table 1 Subset of promising Pb-containing phases.

From: High-throughput discovery of fluoride-ion conductors via a decoupled, dynamic, and iterative (DDI) framework

Material

Materials project ID

Eapprox (meV) (all paths listed)

Band gap (eV)40

PbF4

mp-341

497, 724, 770, 1057

2.00

PbF2

mp-315

542, 1141

4.44

SnPbF4

mp-20815

323, 467, 610, 779

3.46

BiPb2F7

mp-1227492

166, 367, 387

2.66

Pb3IF5

mp-1220040

182, 278

3.12

AgPbF6

mp-1206101

232, 724

0.22

BaPbF6

mp-19799

419, 495, 645, 916

2.89

PdPb2F6

mp-1209528

157, 160, 371

1.13

  1. The calculated band gaps aid in identifying applications.
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