Research paper
Computational DFTComputational AimdComputed Phonon| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Formation Energy | standard enthalpy of formation | 0.424eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.365eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.348eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.333eV | — | |||
| Optical Band Gap | band gap | 1.64eV | — | |||
| Optical Band Gap | band gap | 1.97eV | — | |||
| Optical Band Gap | band gap | 5.56eV | — | |||
| Optical Band Gap | band gap | 5.42eV | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Formation Energy | standard enthalpy of formation | 0.424eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.365eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.348eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.333eV | — | |||
| Optical Band Gap | band gap | 1.64eV | — | |||
| Optical Band Gap | band gap | 1.97eV | — | |||
| Optical Band Gap | band gap | 5.56eV | — | |||
| Optical Band Gap | band gap | 5.42eV | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Formation Energy | standard enthalpy of formation | 0.424eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.365eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.348eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.333eV | — | |||
| Optical Band Gap | band gap | 1.64eV | — | |||
| Optical Band Gap | band gap | 1.97eV | — | |||
| Optical Band Gap | band gap | 5.56eV | — | |||
| Optical Band Gap | band gap | 5.42eV | — |
| Type | Label | Value | Material | Sample | Condition | Source |
|---|---|---|---|---|---|---|
| Formation Energy | standard enthalpy of formation | 0.424eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.365eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.348eV | — | |||
| Formation Energy | standard enthalpy of formation | 0.333eV | — | |||
| Optical Band Gap | band gap | 1.64eV | — | |||
| Optical Band Gap | band gap | 1.97eV | — | |||
| Optical Band Gap | band gap | 5.56eV | — | |||
| Optical Band Gap | band gap | 5.42eV | — |