# YVO_{3}

YVO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. Y(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form YO12 cuboctahedra that share corners with twelve equivalent Y(1)O12 cuboctahedra, faces with six equivalent Y(1)O12 cuboctahedra, and faces with eight equivalent V(1)O6 octahedra. All Y(1)–O(2) bond lengths are 2.73 Å. All Y(1)–O(1) bond lengths are 2.78 Å. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent V(1)O6 octahedra and faces with eight equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both V(1)–O(2) bond lengths are 2.00 Å. All V(1)–O(1) bond lengths are 1.93 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Y(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded to four equivalent Y(1) and two equivalent V(1) atoms to form a mixture of distorted edge and corner-sharing OY4V2 octahedra. The corner-sharing octahedra are not tilted.

#### Highlights

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

Baseline | 5,250 | 1.848×10^^{11} |

Phasecraft | 5,370 | 72,984 |

Applications | Lasers |

#### Material info

- Name
- YVO
_{3} - Materials Project ID
- mvc-11730
- Number of atoms
- 5
- Spacegroup
- P4/mmm

#### Density Functional Theory

- Kohn-Sham electrons
- 41
- Kohn-Sham electrons occupied
- 24
- Pseudo family
- ONCVPSP

#### Circuitry

- Circuit depth
- 72,984
- Number of interactions
- 294,799
- Number of modes
- 5,250
- Number of qubits
- 5,370
- Number of two-qubit gates
- 14,196,327

#### Encoding

- Number of groups
- 125
- Modes per group
- 42
- Translatable
- 2,921
- Non-translatable
- 2,968
- Tiled translatable
- 183,275
- Tiled nontranslatable
- 111,524
- System dimensions
- [5, 5, 5]

#### Wannier Functions

- Final spread
- 6.665×10^
^{-1} - Final variance
- 1.855×10^
^{-1} - Number of iterations
- 10,000
- Number of Wannier functions
- 21
- Spread difference
- 1.56×10^
^{-7}

#### Compilation

- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 114,445
- Number of nontranslatable terms
- 2,968
- Number of translatable terms
- 2,921
- Number of tiled translatable terms
- 183,275
- Number of tiled nontranslatable terms
- 111,524

#### Hamiltonian

- Baseline circuit depth
- 1.848×10^
^{11} - Baseline number of bands
- 21
- Baseline number of qubits
- 5,250
- Coulumb number of cluster sites
- 17
- Coulomb neighbor order
- 2
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 77
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 60
- Number of hopping terms
- 5,874
- Number of Majorana terms
- 5,900
- Number of Wannier tight binding
- 21
- Tau Coulomb terms consistent
- 6.715×10^
^{-1} - Tau hop matrix consistent
- 1.094×10^
^{-3} - Threshold Coulomb terms
- 5.674×10^
^{0} - Threshold hop matrix
- 0.029654
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 16