Cs2PtI6
Type: Volume Composition show more
ObjectId: 6028 ExternalId: 5085
Created: 2/1/2023 3:33:25 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: Cs2PtI6
[no file attached]
: Cs-I-Pt
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Cs | 2 | 22.222 % | |
| Pt | 1 | 11.111 % | |
| I | 6 | 66.667 % |
Associated Objects
-
Sa R.,Luo B.,Ma Z.,Liu D. The effect of the A-site cation on the stabi
Literature ReferenceSa R.,Luo B.,Ma Z.,Liu D. The effect of the A-site cation on the stability and physical properties of vacancy-ordered double perovskites A2PtI6 (A = Tl, K, Rb, and Cs)
-
Sa R.,Zhang Q.,Luo B.,Liu D. Exploring the electronic and optical prop
Literature ReferenceSa R.,Zhang Q.,Luo B.,Liu D. Exploring the electronic and optical properties of vacancy-ordered double perovskites Cs2PtX6 (X = Cl, Br, I)
All properties (except table)
No properties found
The table
| CrystalSystem | StructureType | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|---|
| Cubic | K2PtCl6 | Fm3(-)m | 1.41 | 1 | 1543 | Direct. Calculation. CASTEP |
| Cubic | K2PtCl6 | Fm3m | 0.58 | 1 | 1539 | Direct. Calculation. VASP. PBE+SOC |
| Cubic | K2PtCl6 | Fm3m | 0.68 | 1 | 1539 | Direct. Calculation. VASP. PBE |
| Cubic | K2PtCl6 | Fm3m | 1.4 | 0 | 1539 | Optical |
| Cubic | K2PtCl6 | Fm3m | 1.41 | 1 | 1539 | Direct. Calculation. VASP. HSE06 |