Table 1.
Densities of silica polymorphs.
| Structure | ρ (kg/m3) |
|---|---|
| v-SiO2, 192(D) PBE+D2 (SiO2 281865) | 2241.2 |
| v-SiO2, 192(D) GAP (SiO2 281865) | 2288.6 |
| v-SiO2, 192(D) BKS (SiO2 281865) | 2243.8 |
| v-SiO2, 192(G) GAP (#460) | 2188.7 |
| v-SiO2, 1536(G) GAP (this work) | 2257.1 |
| v-SiO2, 5184(G) GAP60 | 2203.6 |
| v-SiO2, 144(D) PBE+D263 | 2220.6 |
| v-SiO2, 108(D) PBE+D2 (SiO2.158662) | 2243.9 |
| v-SiO2, Experiment138 | 2203 ± 3 |
| v-SiO2, Experiment139 | 2200 ± 10 |
| α-cristobalite129, PBE+D2 | 2383.5 |
| α-cristobalite, Experiment140 | 2326 ± 12 |
| α-quartz130, PBE+D2 | 2641.9 |
| α-quartz, Experiment141 | 2650 |
Comparison between theoretical and experimental densities ρ for the various silica polymorphs analyzed.