Al2O3
Al2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. Al(1) is bonded to six equivalent O(1) atoms to form a mixture of face, edge, and corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 48–60°. There are three shorter (1.87 Å) and three longer (1.99 Å) Al(1)–O(1) bond lengths. O(1) is bonded to four equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 810 | 6.185×10^8 |
Phasecraft | 1,368 | 39,461 |
Applications | Batteries Catalysis Engines Experimental instrument Photovoltaics | |
Material info
- Name
- Al2O3
- Materials Project ID
- mp-1143
- Number of atoms
- 10
- Spacegroup
- R-3c
Density Functional Theory
- Kohn-Sham electrons
- 44
- Kohn-Sham electrons occupied
- 24
- Pseudo family
- ONCVPSP
Circuitry
- Circuit depth
- 39,461
- Number of interactions
- 63,433
- Number of modes
- 1,350
- Number of qubits
- 1,368
- Number of two-qubit gates
- 1,644,741
Encoding
- Number of groups
- 27
- Modes per group
- 50
- Translatable
- 3,511
- Non-translatable
- 1,888
- Tiled translatable
- 52,137
- Tiled nontranslatable
- 11,296
- System dimensions
- [3, 3, 3]
Wannier Functions
- Final spread
- 7.491×10^-1
- Final variance
- 5.815×10^-1
- Number of iterations
- 2,312
- Number of Wannier functions
- 25
- Spread difference
- 9.858×10^-8
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 14,807
- Number of nontranslatable terms
- 1,888
- Number of translatable terms
- 3,511
- Number of tiled translatable terms
- 52,137
- Number of tiled nontranslatable terms
- 11,296
Hamiltonian
- Baseline circuit depth
- 6.185×10^8
- Baseline number of bands
- 15
- Baseline number of qubits
- 810
- Coulumb number of cluster sites
- 11
- Coulomb neighbor order
- 4
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 19
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 1,348
- Number of hopping terms
- 5,062
- Number of Majorana terms
- 5,444
- Number of Wannier tight binding
- 25
- Tau Coulomb terms consistent
- 2.833×10^-1
- Tau hop matrix consistent
- 2.418×10^-3
- Threshold Coulomb terms
- 1.712×10^0
- Threshold hop matrix
- 0.033646
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 8
