ZrSnS3
Type: Volume Composition show more
ObjectId: 5886 ExternalId: 4930
Created: 2/1/2023 3:33:24 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: ZrSnS3
[no file attached]
: S-Sn-Zr
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Zr | 1 | 20 % | |
| Sn | 1 | 20 % | |
| S | 3 | 60 % |
Associated Objects
-
Sujith C.P.,Mathew T.,Mathew V. Density functional study of electronic
Literature ReferenceSujith C.P.,Mathew T.,Mathew V. Density functional study of electronic and optical properties of quasi-one-dimensional metal tin sulfides MSnS3 (M = Hf, Zr)
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Orthorhombic | Pnma | 1.1 | 1 | 1454 | Indirect. Calculation. VASP. GGA PBE |
| Orthorhombic | Pnma | 1.5 | 0 | 1454 | Optical |
| Orthorhombic | Pnma | 1.7 | 1 | 1454 | Indirect. Calculation. VASP. DFT+U(U-J=8) |