CuO
CuO crystallizes in the monoclinic C2/c space group. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)–O(1) bond lengths are 1.94 Å. O(1) is bonded to four equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 1,350 | 2.907×10^9 |
Phasecraft | 3,964 | 71,709 |
Applications | Batteries Catalysis Microelectronics Photovoltaics Sensors | |
Material info
- Name
- CuO
- Materials Project ID
- mp-1692
- Number of atoms
- 4
- Spacegroup
- P4_2/mmc
Density Functional Theory
- Kohn-Sham electrons
- 45
- Kohn-Sham electrons occupied
- 25
- Pseudo family
- ONCVPSP
Circuitry
- Circuit depth
- 71,709
- Number of interactions
- 198,482
- Number of modes
- 3,900
- Number of qubits
- 3,964
- Number of two-qubit gates
- 9,833,922
Encoding
- Number of groups
- 75
- Modes per group
- 52
- Translatable
- 3,650
- Non-translatable
- 2,904
- Tiled translatable
- 138,210
- Tiled nontranslatable
- 60,272
- System dimensions
- [5, 5, 3]
Wannier Functions
- Final spread
- 3.861×10^-1
- Final variance
- 1.902×10^-1
- Number of iterations
- 10,000
- Number of Wannier functions
- 26
- Spread difference
- 1.33×10^-6
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 63,922
- Number of nontranslatable terms
- 2,904
- Number of translatable terms
- 3,650
- Number of tiled translatable terms
- 138,210
- Number of tiled nontranslatable terms
- 60,272
Hamiltonian
- Baseline circuit depth
- 2.907×10^9
- Baseline number of bands
- 9
- Baseline number of qubits
- 1,350
- Coulumb number of cluster sites
- 15
- Coulomb neighbor order
- 4
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 53
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 168
- Number of hopping terms
- 6,512
- Number of Majorana terms
- 6,569
- Number of Wannier tight binding
- 26
- Tau Coulomb terms consistent
- 7.072×10^-1
- Tau hop matrix consistent
- 1.155×10^-3
- Threshold Coulomb terms
- 7.266×10^0
- Threshold hop matrix
- 0.030669
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 16
