MgO
MgO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing MgO6 octahedra. The corner-sharing octahedra are not tilted. All Mg(1)–O(1) bond lengths are 2.10 Å. O(1) is bonded to six equivalent Mg(1) atoms to form a mixture of edge and corner-sharing OMg6 octahedra. The corner-sharing octahedra are not tilted.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 1,000 | 1.157×10^9 |
Phasecraft | 2,120 | 26,973 |
Applications | Batteries Catalysis Construction Memory Microelectronics Photovoltaics | |
Material info
- Name
- MgO
- Materials Project ID
- mp-1265
- 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
- 26,973
- Number of interactions
- 79,372
- Number of modes
- 2,000
- Number of qubits
- 2,120
- Number of two-qubit gates
- 2,007,654
Encoding
- Number of groups
- 125
- Modes per group
- 16
- Translatable
- 622
- Non-translatable
- 1,036
- Tiled translatable
- 42,900
- Tiled nontranslatable
- 36,472
- System dimensions
- [5, 5, 5]
Wannier Functions
- Final spread
- 4.212×10^-1
- Final variance
- 2.681×10^-1
- Number of iterations
- 560
- Number of Wannier functions
- 8
- Spread difference
- 9.774×10^-8
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 37,094
- Number of nontranslatable terms
- 1,036
- Number of translatable terms
- 622
- Number of tiled translatable terms
- 42,900
- Number of tiled nontranslatable terms
- 36,472
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
- 79
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 184
- Number of hopping terms
- 1,612
- Number of Majorana terms
- 1,673
- Number of Wannier tight binding
- 8
- Tau Coulomb terms consistent
- 3.857×10^-1
- Tau hop matrix consistent
- 3.144×10^-4
- Threshold Coulomb terms
- 4.078×10^0
- Threshold hop matrix
- 0.012479
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 5
