C

C is rhombohedral graphite-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six C sheets oriented in the (0, 0, 1) direction. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent C(2) atoms. All C(1)–C(2) bond lengths are 1.42 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms.

Highlights

Qubits
Depth
Baseline
1,4583.657×10^9
Phasecraft
4,12827,476
Applications

Material info

Name
C
Materials Project ID
mp-569304
Number of atoms
4
Spacegroup
R-3m

Density Functional Theory

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

Circuitry

Circuit depth
27,476
Number of interactions
731,202
Number of modes
3,888
Number of qubits
4,128
Number of two-qubit gates
1,765,251

Encoding

Number of groups
243
Modes per group
16
Translatable
1,386
Non-translatable
6,740
Tiled translatable
172,638
Tiled nontranslatable
558,564
System dimensions
[9, 9, 3]

Wannier Functions

Final spread
8.789×10^-1
Final variance
4.951×10^-1
Number of iterations
1,915
Number of Wannier functions
8
Spread difference
8.897×10^-8

Compilation

Algorithm
VQE
Detail
Splitting onsite/NN from NNN+ terms
Number of interactions
559,950
Number of nontranslatable terms
6,740
Number of translatable terms
1,386
Number of tiled translatable terms
172,638
Number of tiled nontranslatable terms
558,564

Hamiltonian

Baseline circuit depth
3.657×10^9
Baseline number of bands
3
Baseline number of qubits
1,458
Coulumb number of cluster sites
57
Coulomb neighbor order
16
Coulomb symmetry checks
true
Hop number of cluster sites
19
Interaction motif neighbor order
1
Number of Coulomb terms
30,640
Number of hopping terms
916
Number of Majorana terms
9,225
Number of Wannier tight binding
8
Tau Coulomb terms consistent
9.287×10^-2
Tau hop matrix consistent
6.442×10^-3
Threshold Coulomb terms
4.886×10^-1
Threshold hop matrix
0.053331
Tolerance
0.5
Use interaction
1
Energy window
Distance method
MaxDist
Hop matrix neighbor order
6

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