CuP2Se
Type: Volume Composition show more
ObjectId: 3884 ExternalId: 2730
Created: 2/1/2023 3:33:13 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: CuP2Se
[no file attached]
: Cu-P-Se
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Cu | 1 | 25 % | |
| P | 2 | 50 % | |
| Se | 1 | 25 % |
Associated Objects
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Kuhn A.,Schoop L.M.,Eger R.,Moudrakovski I.,Schwarzmuller S.,Duppel V.
Literature ReferenceKuhn A.,Schoop L.M.,Eger R.,Moudrakovski I.,Schwarzmuller S.,Duppel V.,Kremer R.K.,Oeckler O.,Lotsch B.V. Copper Selenidophosphates Cu4P2Se6, Cu4P3Se4, Cu4P4Se3, and CuP2Se, Featuring Zero-, One-, and Two-Dimensional Anions
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Li W.,Feng J.,Zhang X.,Li C.,Dong H.,Deng W.,Liu J.,Tian H.,Chen J.,Ji
Literature ReferenceLi W.,Feng J.,Zhang X.,Li C.,Dong H.,Deng W.,Liu J.,Tian H.,Chen J.,Jiang S.,Sheng H.,Chen B.,Zhang H. Metallization and Superconductivity in the van der Waals Compound CuP2Se through Pressure-Tuning of the Interlayer Coupling
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Orthorhombic | Pbca | 0.64 | 0 | 1694 | Direct. HP-UV-vis diffuse reflectance spectroscopy. 14.7 GPa |
| Orthorhombic | Pbca | 0.92 | 1 | 712 | Indirect; DFT calculations, WIEN2k program package |
| Orthorhombic | Pbca | 0.95 | 0 | 1694 | Direct. HP-UV-vis diffuse reflectance spectroscopy. 8.9 GPa |
| Orthorhombic | Pbca | 0.98 | 0 | 1694 | Indirect. HP-UV-vis diffuse reflectance spectroscopy. 6.5 GPa |
| Orthorhombic | Pbca | 1.03 | 0 | 1694 | Direct. HP-UV-vis diffuse reflectance spectroscopy. 6.5 GPa |
| Orthorhombic | Pbca | 1.07 | 0 | 1694 | Indirect. HP-UV-vis diffuse reflectance spectroscopy. 3.4 GPa |
| Orthorhombic | Pbca | 1.1 | 0 | 1694 | Indirect. HP-UV-vis diffuse reflectance spectroscopy. 1.8 GPa |
| Orthorhombic | Pbca | 1.14 | 0 | 1694 | Direct. HP-UV-vis diffuse reflectance spectroscopy. 3.4 GPa |
| Orthorhombic | Pbca | 1.18 | 0 | 1694 | Direct. HP-UV-vis diffuse reflectance spectroscopy. 1.8 GPa |
| Orthorhombic | Pbca | 1.2 | 0 | 1694 | Indirect. HP-UV-vis diffuse reflectance spectroscopy. 0.1 GPa |
| Orthorhombic | Pbca | 1.28 | 0 | 1694 | Direct. HP-UV-vis diffuse reflectance spectroscopy. 0.1 GPa |
| Orthorhombic | Pbca | 1.4 | 0 | 1694 | Direct. UV-vis diffuse reflectance spectroscopy |
| Orthorhombic | Pbca | 1.4 | 0 | 1694 | Indirect. UV-vis diffuse reflectance spectroscopy |
| Orthorhombic | Pbca | 1.6 | 1 | 1694 | Indirect. Calculation. VASP |