NbO2
NbO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Nb(1) is bonded to six equivalent O(1) atoms to form a mixture of edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (2.03 Å) and four longer (2.09 Å) Nb(1)–O(1) bond lengths. O(1) is bonded in a distorted T-shaped geometry to three equivalent Nb(1) atoms.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 1,512 | 4.118×10^9 |
Phasecraft | 3,830 | 121,307 |
Applications | Batteries Catalysis LEDs Memory Microelectronics | |
Material info
- Name
- NbO2
- Materials Project ID
- mp-2533
- 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
- 121,307
- Number of interactions
- 299,636
- Number of modes
- 3,780
- Number of qubits
- 3,830
- Number of two-qubit gates
- 15,492,620
Encoding
- Number of groups
- 63
- Modes per group
- 60
- Translatable
- 6,842
- Non-translatable
- 5,240
- Tiled translatable
- 217,044
- Tiled nontranslatable
- 82,592
- System dimensions
- [7, 3, 3]
Wannier Functions
- Final spread
- 6.764×10^-1
- Final variance
- 5.589×10^-2
- Number of iterations
- 2,618
- Number of Wannier functions
- 30
- Spread difference
- 9.887×10^-8
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 89,434
- Number of nontranslatable terms
- 5,240
- Number of translatable terms
- 6,842
- Number of tiled translatable terms
- 217,044
- Number of tiled nontranslatable terms
- 82,592
Hamiltonian
- Baseline circuit depth
- 4.118×10^9
- Baseline number of bands
- 12
- Baseline number of qubits
- 1,512
- Coulumb number of cluster sites
- 15
- Coulomb neighbor order
- 2
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 47
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 248
- Number of hopping terms
- 12,020
- Number of Majorana terms
- 12,095
- Number of Wannier tight binding
- 30
- Tau Coulomb terms consistent
- 6.863×10^-1
- Tau hop matrix consistent
- 1.623×10^-3
- Threshold Coulomb terms
- 4.37×10^0
- Threshold hop matrix
- 0.019545
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 9
