KYTe2
Type: Volume Composition show more
ObjectId: 5608 ExternalId: 4596
Created: 2/1/2023 3:33:22 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: KYTe2
[no file attached]
: K-Te-Y
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| K | 1 | 25 % | |
| Y | 1 | 25 % | |
| Te | 2 | 50 % |
Associated Objects
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Azzouz L.,Halit M.,Rerat M.,KhenataR.,Singh A.K.,Obeid M.M.,Jappor H.R
Literature ReferenceAzzouz L.,Halit M.,Rerat M.,KhenataR.,Singh A.K.,Obeid M.M.,Jappor H.R.,Wang X. Structural, electronic and optical properties of ABTe2 (A = Li, Na, K, Rb, Cs and B = Sc, Y, La): Insights from first-principles computations
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Trigonal | R3(-)m | 1.36 | 1 | 1269 | Indirect. Calculation. CRYSTAL. PBE |
| Trigonal | R3(-)m | 2.13 | 1 | 1269 | Direct. Calculation. CRYSTAL. PBE |
| Trigonal | R3(-)m | 2.58 | 1 | 1269 | Indirect. Calculation. CRYSTAL. HSE06 |
| Trigonal | R3(-)m | 2.68 | 1 | 1269 | Indirect. Calculation. CRYSTAL. PBE0 |
| Trigonal | R3(-)m | 2.95 | 1 | 1269 | Direct. Calculation. CRYSTAL. HSE06 |
| Trigonal | R3(-)m | 3.61 | 1 | 1269 | Direct. Calculation. CRYSTAL. PBE0 |