Cs2FeP2S6
Type: Volume Composition show more
ObjectId: 6517 ExternalId: 5622
Created: 2/1/2023 3:33:28 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: Cs2FeP2S6
[no file attached]
: Cs-Fe-P-S
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Cs | 2 | 18.182 % | |
| Fe | 1 | 9.091 % | |
| P | 2 | 18.182 % | |
| S | 6 | 54.545 % |
Associated Objects
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Jana S.,Panigrahi G.,Yadav S.,Niranjan M.K.,Prakash J. Synthesis, crys
Literature ReferenceJana S.,Panigrahi G.,Yadav S.,Niranjan M.K.,Prakash J. Synthesis, crystal structure, optical bandgap, and electronic structure of Cs2FeP2S6
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Monoclinic | P21/c | 0.71 | 1 | 1823 | Direct. Calculation. VASP. LDA |
| Monoclinic | P21/c | 0.75 | 1 | 1823 | Direct. Calculation. VASP. GGA |
| Monoclinic | P21/c | 1.85 | 1 | 1823 | Direct. Calculation. VASP. SCAN |
| Monoclinic | P21/c | 2.6 | 0 | 1823 | Direct. UV-vis-NIR diffuse reflectance spectroscopy |