Mg3Si6As8
Type: Volume Composition show more
ObjectId: 5393 ExternalId: 4343
Created: 2/1/2023 3:33:20 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: Mg3Si6As8
[no file attached]
: As-Mg-Si
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Mg | 3 | 17.647 % | |
| Si | 6 | 35.294 % | |
| As | 8 | 47.059 % |
Associated Objects
-
Tuo P.,Pan B.C. New compounds Mg3IV6V8 (IV = Si, Ge, Sn; V = P, As, Sb
Literature ReferenceTuo P.,Pan B.C. New compounds Mg3IV6V8 (IV = Si, Ge, Sn; V = P, As, Sb) and their potential application to photovoltaic materials
-
Woo K.E.,Wang J.,Wu K.,Lee K.,Dolyniuk J.-A.,Pan S.,Kovnir K. Mg-Si-As
Literature ReferenceWoo K.E.,Wang J.,Wu K.,Lee K.,Dolyniuk J.-A.,Pan S.,Kovnir K. Mg-Si-As: An Unexplored System with Promising Nonlinear Optical Properties
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Cubic | P4332 | 1.5 | 1 | 1146 | Direct. Calculation |
| Cubic | P4332 | 1.56 | 1 | 1154 | Calculation. VASP (GGA PBEsol) |
| Cubic | P4332 | 1.57 | 1 | 1154 | Calculation. VASP (LDA ) |
| Cubic | P4332 | 1.59 | 1 | 1154 | Calculation. VASP (GGA PBE) |
| Cubic | P4332 | 1.61 | 1 | 1154 | Calculation. VASP (GGA PW91 ) |
| Cubic | P4332 | 1.62 | 1 | 1154 | Calculation. VASP (GGA AM05) |
| Cubic | P4332 | 2.02 | 0 | 1146 | UV-vis diffuse reflectance spectroscopy |
| Cubic | P4332 | 2.15 | 1 | 1154 | Calculation. VASP (mBJ ) |