Cu2HgGeS4
Type: Volume Composition show more
ObjectId: 6512 ExternalId: 5617
Created: 2/1/2023 3:33:28 PM by Vic) Dudarev Victor [vic_dudarev@mail.ru]
Access: Public Sort Code (asc): 0
Description: Cu2HgGeS4
[no file attached]
: Cu-Ge-Hg-S
Composition
| Element | Absolute | Percentage | |
|---|---|---|---|
| Cu | 2 | 25 % | |
| Hg | 1 | 12.5 % | |
| Ge | 1 | 12.5 % | |
| S | 4 | 50 % |
Associated Objects
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Vu T.V.,Marchuk O.V.,Smitiukh O.V.,Tkach V.A.,Myronchuk D.,Myronchuk G
Literature ReferenceVu T.V.,Marchuk O.V.,Smitiukh O.V.,Tkach V.A.,Myronchuk D.,Myronchuk G.L.,Khyzhun O.Y. High-temperature orthorhombic phase of Cu2HgGeS4: Electronic structure and principal optical constants as evidenced from the experiment and theory
All properties (except table)
No properties found
The table
| CrystalSystem | SpaceGroup | Eg | IsCalculated | ReferenceId | Comment |
|---|---|---|---|---|---|
| Orthorhombic | Pmn21 | 0.449 | 1 | 1820 | Calculation. WIEN2K. GGA |
| Orthorhombic | Pmn21 | 0.883 | 1 | 1820 | Calculation. WIEN2K. GGA+U |
| Orthorhombic | Pmn21 | 0.946 | 1 | 1820 | Calculation. WIEN2K. TB-mBJ |
| Orthorhombic | Pmn21 | 1.647 | 1 | 1820 | Calculation. WIEN2K. TB-mBJ+U+SOC |
| Orthorhombic | Pmn21 | 1.674 | 1 | 1820 | Calculation. WIEN2K. TB-mBJ+U |