Ba2SiP4
Type: Volume Composition show more
ObjectId: 5381 ExternalId: 4331
Created: 2/1/2023 3:33:20 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: Ba2SiP4
[no file attached]
: Ba-P-Si
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Ba | 2 | 28.571 % | |
| Si | 1 | 14.286 % | |
| P | 4 | 57.143 % |
Associated Objects
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Haffner A.,Weippert V.,Johrendt D. Polymorphism of Ba2SiP4
Literature ReferenceHaffner A.,Weippert V.,Johrendt D. Polymorphism of Ba2SiP4
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Mark J.,Dolyniuk J.-A.,Tran N.,Kovnir K. Crystal and Electronic Struct
Literature ReferenceMark J.,Dolyniuk J.-A.,Tran N.,Kovnir K. Crystal and Electronic Structure and Optical Properties of AE2SiP4 (AE = Sr, Eu, Ba) and Ba4Si3P8
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Orthorhombic | Pnma | 1.7 | 1 | 1329 | Indirect. Calculation. WIEN2k package |
| Tetragonal | I4(-)2d | 0.92 | 1 | 1135 | Direct. Calculation. VASP |
| Tetragonal | I4(-)2d | 1.45 | 0 | 1135 | UV-vis diffuse reflectance spectroscopy |