CaO
CaO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing CaO6 octahedra. The corner-sharing octahedra are not tilted. All Ca(1)–O(1) bond lengths are 2.40 Å. O(1) is bonded to six equivalent Ca(1) atoms to form a mixture of edge and corner-sharing OCa6 octahedra. The corner-sharing octahedra are not tilted.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 1,000 | 1.157×10^9 |
Phasecraft | 2,120 | 23,344 |
Applications | Batteries Catalysis Fuel cells Hydrogen | |
Material info
- Name
- CaO
- Materials Project ID
- mp-2605
- 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
- 23,344
- Number of interactions
- 71,520
- Number of modes
- 2,000
- Number of qubits
- 2,120
- Number of two-qubit gates
- 1,663,834
Encoding
- Number of groups
- 125
- Modes per group
- 16
- Translatable
- 568
- Non-translatable
- 882
- Tiled translatable
- 40,100
- Tiled nontranslatable
- 31,420
- System dimensions
- [5, 5, 5]
Wannier Functions
- Final spread
- 6.144×10^-1
- Final variance
- 1.983×10^-1
- Number of iterations
- 179
- Number of Wannier functions
- 8
- Spread difference
- 7.862×10^-8
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 31,988
- Number of nontranslatable terms
- 882
- Number of translatable terms
- 568
- Number of tiled translatable terms
- 40,100
- Number of tiled nontranslatable terms
- 31,420
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
- 136
- Number of hopping terms
- 1,416
- Number of Majorana terms
- 1,457
- Number of Wannier tight binding
- 8
- Tau Coulomb terms consistent
- 6.42×10^-1
- Tau hop matrix consistent
- 1.778×10^-3
- Threshold Coulomb terms
- 4.119×10^0
- Threshold hop matrix
- 0.027356
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 5
