Table 5. Equatorial Vacancy (EV) and Apical Vacancy (AV) Concentrations per M Atom (M = Ge/V) in the Starting and Final Configurations for BIGEVOX10 at 25 and 700 °C, along with Their Standard Deviations over 10 Parallel Configurations.
| BIGEVOX10 |
BISNVOX05 |
||||
|---|---|---|---|---|---|
| Vacancy type | 25 °C | 700 °C | 25 °C | 700 °C | |
| Final configuration | AV/M | 0.040(05) | 0.118(06) | 0.081(10) | 0.157(16) |
| EV/M | 0.510(05) | 0.431(06) | 0.444(10) | 0.367(16) | |
| AV/V | 0.039(08) | 0.101(09) | 0.085(12) | 0.153(20) | |
| EV/V | 0.485(09) | 0.393(04) | 0.469(13) | 0.368(09) | |
| AV/Ge | 0.056(19) | 0.254(25) | 0.006(09) | 0.142(61) | |
| EV/Ge | 0.834(40) | 0.714(23) | 0.047(19) | 0.174(74) | |
| Starting configuration | AV/M | 0 | 0 | 0 | 0 |
| EV/M | 0.550 | 0.550 | 0.525 | 0.525 | |