# TaO_{2}

TaO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Ta(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (2.02 Å) and four longer (2.09 Å) Ta(1)–O(1) bond lengths. O(1) is bonded in a distorted T-shaped geometry to three equivalent Ta(1) atoms.

#### Highlights

Qubits | Depth | |
---|---|---|

Baseline | 1,080 | 1.477×10^^{9} |

Phasecraft | 2,734 | 60,171 |

Applications | Batteries Memory |

#### Material info

- Name
- TaO
_{2} - Materials Project ID
- mp-20994
- Number of atoms
- 6
- Spacegroup
- P4_2/mnm

#### Density Functional Theory

- Kohn-Sham electrons
- 45
- Kohn-Sham electrons occupied
- 26
- Pseudo family
- ONCVPSP

#### Circuitry

- Circuit depth
- 60,171
- Number of interactions
- 142,402
- Number of modes
- 2,700
- Number of qubits
- 2,734
- Number of two-qubit gates
- 5,044,258

#### Encoding

- Number of groups
- 45
- Modes per group
- 60
- Translatable
- 4,788
- Non-translatable
- 2,744
- Tiled translatable
- 114,186
- Tiled nontranslatable
- 28,216
- System dimensions
- [5, 3, 3]

#### Wannier Functions

- Final spread
- 7.045×10^
^{-1} - Final variance
- 7.046×10^
^{-2} - Number of iterations
- 5,215
- Number of Wannier functions
- 30
- Spread difference
- 9.907×10^
^{-8}

#### Compilation

- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 33,004
- Number of nontranslatable terms
- 2,744
- Number of translatable terms
- 4,788
- Number of tiled translatable terms
- 114,186
- Number of tiled nontranslatable terms
- 28,216

#### Hamiltonian

- Baseline circuit depth
- 1.477×10^
^{9} - Baseline number of bands
- 12
- Baseline number of qubits
- 1,080
- Coulumb number of cluster sites
- 15
- Coulomb neighbor order
- 2
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 37
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 304
- Number of hopping terms
- 7,456
- Number of Majorana terms
- 7,545
- Number of Wannier tight binding
- 30
- Tau Coulomb terms consistent
- 7.119×10^
^{-1} - Tau hop matrix consistent
- 3.21×10^
^{-3} - Threshold Coulomb terms
- 4.293×10^
^{0} - Threshold hop matrix
- 0.045432
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 7