Table 1 Reconstruction performance of SLI2Cry for the filtered MP-20 dataset (40,330 crystals)

From: An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning

Setting

Match rate (%)

 

Rescaled structure

\(Z{L}^{*}\)-optimized structure

IAP-refined structure

IAP-refined rescaled structure

Strict

77.87

84.57

92.55

86.83

Loose

91.36

94.05

94.95

90.58

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