NaCl
NaCl is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded to six equivalent Cl(1) atoms to form a mixture of edge and corner-sharing NaCl6 octahedra. The corner-sharing octahedra are not tilted. All Na(1)–Cl(1) bond lengths are 2.79 Å. Cl(1) is bonded to six equivalent Na(1) atoms to form a mixture of edge and corner-sharing ClNa6 octahedra. The corner-sharing octahedra are not tilted.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 1,000 | 1.157×10^9 |
Phasecraft | 2,120 | 7,296 |
Applications | Batteries Catalysis Construction Microelectronics Photovoltaics Sensors | |
Material info
- Name
- NaCl
- Materials Project ID
- mp-22862
- Number of atoms
- 2
- Spacegroup
- Fm-3m
Density Functional Theory
- Kohn-Sham electrons
- 28
- Kohn-Sham electrons occupied
- 8
- Pseudo family
- ONCVPSP
Circuitry
- Circuit depth
- 7,296
- Number of interactions
- 35,536
- Number of modes
- 2,000
- Number of qubits
- 2,120
- Number of two-qubit gates
- 519,688
Encoding
- Number of groups
- 125
- Modes per group
- 16
- Translatable
- 320
- Non-translatable
- 266
- Tiled translatable
- 25,500
- Tiled nontranslatable
- 10,036
- System dimensions
- [5, 5, 5]
Wannier Functions
- Final spread
- 6.101×10^-1
- Final variance
- 4.108×10^-1
- Number of iterations
- 9,356
- Number of Wannier functions
- 8
- Spread difference
- 1×10^-7
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 10,356
- Number of nontranslatable terms
- 266
- Number of translatable terms
- 320
- Number of tiled translatable terms
- 25,500
- Number of tiled nontranslatable terms
- 10,036
Hamiltonian
- Baseline circuit depth
- 1.157×10^9
- Baseline number of bands
- 4
- Baseline number of qubits
- 1,000
- Coulumb number of cluster sites
- 19
- Coulomb neighbor order
- 1
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 55
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 152
- Number of hopping terms
- 548
- Number of Majorana terms
- 593
- Number of Wannier tight binding
- 8
- Tau Coulomb terms consistent
- 3.34×10^-1
- Tau hop matrix consistent
- 3.369×10^-3
- Threshold Coulomb terms
- 3.214×10^0
- Threshold hop matrix
- 0.090259
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 4
