PdO
PdO crystallizes in the tetragonal P4_2/mmc space group. Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Pd(1)–O(1) bond lengths are 2.03 Å. O(1) is bonded to four equivalent Pd(1) atoms to form a mixture of edge and corner-sharing OPd4 tetrahedra.
Highlights
Qubits | Depth | |
|---|---|---|
Baseline | 1,350 | 2.907×10^9 |
Phasecraft | 3,964 | 144,452 |
Applications | Batteries Catalysis Hydrogen Sensors | |
Material info
- Name
- PdO
- Materials Project ID
- mp-1336
- Number of atoms
- 4
- Spacegroup
- P4_2/mmc
Density Functional Theory
- Kohn-Sham electrons
- 44
- Kohn-Sham electrons occupied
- 24
- Pseudo family
- ONCVPSP
Circuitry
- Circuit depth
- 144,452
- Number of interactions
- 402,006
- Number of modes
- 3,900
- Number of qubits
- 3,964
- Number of two-qubit gates
- 21,852,444
Encoding
- Number of groups
- 75
- Modes per group
- 52
- Translatable
- 7,448
- Non-translatable
- 6,656
- Tiled translatable
- 262,650
- Tiled nontranslatable
- 139,356
- System dimensions
- [5, 5, 3]
Wannier Functions
- Final spread
- 5.384×10^-1
- Final variance
- 8.696×10^-2
- Number of iterations
- 3,268
- Number of Wannier functions
- 26
- Spread difference
- 9.534×10^-8
Compilation
- Algorithm
- VQE
- Detail
- Splitting onsite/NN from NNN+ terms
- Number of interactions
- 146,804
- Number of nontranslatable terms
- 6,656
- Number of translatable terms
- 7,448
- Number of tiled translatable terms
- 262,650
- Number of tiled nontranslatable terms
- 139,356
Hamiltonian
- Baseline circuit depth
- 2.907×10^9
- Baseline number of bands
- 9
- Baseline number of qubits
- 1,350
- Coulumb number of cluster sites
- 23
- Coulomb neighbor order
- 3
- Coulomb symmetry checks
- true
- Hop number of cluster sites
- 47
- Interaction motif neighbor order
- 1
- Number of Coulomb terms
- 192
- Number of hopping terms
- 14,056
- Number of Majorana terms
- 14,115
- Number of Wannier tight binding
- 26
- Tau Coulomb terms consistent
- 6.917×10^-1
- Tau hop matrix consistent
- 8.621×10^-4
- Threshold Coulomb terms
- 5.365×10^0
- Threshold hop matrix
- 0.013519
- Tolerance
- 0.5
- Use interaction
- 1
- Energy window
- Distance method
- MaxDist
- Hop matrix neighbor order
- 8
