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BN

BN is Boron Nitride structured and crystallizes in the hexagonal P63/mmc space group. The structure is two-dimensional and consists of two BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 A. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.

Highlights

Qubits
Depth
Baseline
1,7646.563×10^9
Phasecraft
2,49031,237
Applications
Catalysis
Engines
Experimental instrument
Microelectronics
Photovoltaics
Sensors

Material info

Name
BN
Materials Project ID
mp-984
Number of atoms
4
Spacegroup
P6_3/mmc

Density Functional Theory

Kohn-Sham electrons
28
Kohn-Sham electrons occupied
8
Pseudo family
ONCVPSP

Circuitry

Circuit depth
31,237
Number of interactions
210,488
Number of modes
2,352
Number of qubits
2,490
Number of two-qubit gates
3,452,452

Encoding

Number of groups
147
Modes per group
16
Translatable
1,548
Non-translatable
1,960
Tiled translatable
108,836
Tiled nontranslatable
101,652
System dimensions
[7, 7, 3]

Wannier Functions

Final spread
7.658×10^-1
Final variance
1.583×10^-1
Number of iterations
238
Number of Wannier functions
8
Spread difference
8.772×10^-8

Compilation

Algorithm
VQE
Detail
Splitting onsite/NN from NNN+ terms
Number of interactions
103,200
Number of nontranslatable terms
1,960
Number of translatable terms
1,548
Number of tiled translatable terms
108,836
Number of tiled nontranslatable terms
101,652

Hamiltonian

Baseline circuit depth
6.563×10^9
Baseline number of bands
6
Baseline number of qubits
1,764
Coulumb number of cluster sites
37
Coulomb neighbor order
10
Coulomb symmetry checks
true
Hop number of cluster sites
63
Interaction motif neighbor order
1
Number of Coulomb terms
6,672
Number of hopping terms
1,840
Number of Majorana terms
3,727
Number of Wannier tight binding
8
Tau Coulomb terms consistent
1.604×10^-1
Tau hop matrix consistent
3.856×10^-3
Threshold Coulomb terms
8.621×10^-1
Threshold hop matrix
0.014328
Tolerance
0.5
Use interaction
1
Energy window
Distance method
MaxDist
Hop matrix neighbor order
16

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