| Name | Number of Atoms | Total Energy [eV] | Energy per atom [eV] | Energy difference diamond | Radius CNT [Å] | Df [Å] | Di [Å] | Spacegroup | Template Spacegroup |
| SBT | 180 | -1,633.50 | -9.075 | 0.215 | 2.72 | 5.65 | 11.11 | 166 | 166 |
| FAU | 168 | -1,524.26 | -9.073 | 0.217 | 2.74 | 7.29 | 10.58 | 227 | 227 |
| SBS | 396 | -3,582.70 | -9.047 | 0.243 | 2.67 | 5.65 | 11.39 | 163 | 194 |
| 221_2_6 | 240 | -2,189.18 | -9.122 | 0.168 | 3.00 | 6.63 | 14.14 | 221 | 221 |
| IRY | 408 | -3,714.49 | -9.104 | 0.186 | 4.06 | 8.61 | 11.27 | 194 | 194 |
| RWY1 | 240 | -2,174.96 | -9.062 | 0.228 | 2.87 | 6.23 | 14.34 | 221 | 229 |
| RWY2 | 180 | -1,622.63 | -9.015 | 0.275 | 2.87 | 6.23 | 14.34 | 204 | 217 |
| EMT | 420 | -3,785.63 | -9.013 | 0.277 | 3.40 | 6.48 | 11.49 | 194 | 194 |
| IRR | 252 | -2,268.25 | -9.001 | 0.289 | 5.78 | 5.94 | 14.4 | 191 | 191 |
| SAO | 120 | -1,077.61 | -8.980 | 0.310 | 2.84 | 6.73 | 8.58 | 119 | 119 |
| ISV | 272 | -2,440.82 | -8.974 | 0.316 | 2.84 | 6.22 | 6.95 | 131 | 131 |
| LTA | 96 | -860.13 | -8.960 | 0.330 | -1.00 | 4.14 | 10.99 | 215 | 221 |
| RHO | 168 | -1,504.40 | -8.955 | 0.335 | -1.00 | 4 | 10.37 | 221 | 229 |
| AFY | 96 | -859.07 | -8.949 | 0.341 | 2.67 | 4.02 | 7.76 | 162 | 162 |
| ITT | 228 | -2,038.34 | -8.940 | 0.350 | 5.72 | 5.16 | 13.41 | 191 | 191 |
| BEB | 128 | -1,143.04 | -8.930 | 0.360 | 2.54 | 5.73 | 6.36 | 15 | 15 |
| POS | 272 | -2,427.42 | -8.924 | 0.366 | 2.98 | 5.62 | 7.21 | 136 | 136 |
| BEA | 256 | -2,281.50 | -8.912 | 0.378 | 2.69 | 5.89 | 6.62 | 91 | 91 |
| IWS | 264 | -2,352.02 | -8.909 | 0.381 | 2.93 | 6.32 | 8.19 | 139 | 139 |
| AFX | 180 | -1,600.94 | -8.894 | 0.396 | -1.00 | 3.67 | 7.7 | 194 | 194 |
| BEC | 120 | -1,067.19 | -8.893 | 0.397 | 2.98 | 6.03 | 6.89 | 131 | 131 |
| MEL | 176 | -1,564.13 | -8.887 | 0.403 | 2.23 | 5.13 | 7.66 | 119 | 119 |
| DFO | 552 | -4,904.74 | -8.885 | 0.405 | 3.31 | 5.02 | 11.23 | 6 | 191 |
| MSE | 408 | -3,614.25 | -8.858 | 0.432 | 2.97 | 4.94 | 7.03 | 136 | 136 |
| IWR | 104 | -918.81 | -8.835 | 0.455 | 2.66 | 4.8 | 7.42 | 65 | 65 |
| ITR | 168 | -1,480.35 | -8.812 | 0.478 | 2.21 | 3.52 | 6.3 | 63 | 63 |
| OFF | 72 | -633.80 | -8.803 | 0.487 | 2.97 | 3.37 | 6.94 | 187 | 187 |
| BSV | 240 | -2,112.22 | -8.801 | 0.489 | -1.00 | 3.779 | 5.11 | 230 | 230 |
| ERI | 144 | -1,266.00 | -8.792 | 0.498 | -1.00 | 3.36 | 6.95 | 176 | 194 |
| BOG | 148 | -1,299.22 | -8.779 | 0.511 | 3.05 | 4.86 | 7.99 | 74 | 74 |
| SAV | 288 | -2,537.16 | -8.810 | 0.480 | -1.00 | 3.69 | 7.76 | 129 | 129 |
| UWY | 204 | -1,779.86 | -8.725 | 0.565 | 2.76 | 4.9 | 8.72 | 47 | 47 |
| AEI | 132 | -1,148.18 | -8.698 | 0.592 | -1.00 | 3.58 | 7.27 | 63 | 63 |
| GME | 144 | -1,241.65 | -8.623 | 0.667 | 3.27 | 3.35 | 7.7 | 194 | 194 |
| h8326896 | 168 | -1,527.08 | -9.090 | 0.200 | 2.90 | 6.25 | 11.55 | 164 | 187 |
| h8327291 | 150 | -1,368.42 | -9.123 | 0.167 | 4.52 | 6.47 | 10.61 | 187 | 187 |
| h8326829 | 282 | -2,565.32 | -9.097 | 0.193 | 4.59 | 6.24 | 10.38 | 187 | 187 |
| h8326849 | 144 | -1,308.08 | -9.084 | 0.206 | 3.25 | 6.25 | 11.51 | 191 | 187 |
| h8331018 | 216 | -1,933.81 | -8.953 | 0.337 | -1.00 | 5.82 | 7.19 | 214 | 214 |
| Other Structures | |||||||||
| diamond | 2 | -18.58 | -9.290 | 0.000 | |||||
| C60 | 60 | -536.30 | -8.938 | 0.352 | 3.56 | ||||
| cnt33 | 12 | -106.22 | -8.852 | 0.438 | 2.07 | ||||
| cnt44 | 16 | -145.97 | -9.123 | 0.167 | 2.766 | ||||
| cnt55 | 20 | -183.12 | -9.156 | 0.134 | 3.42 | ||||
| cnt66 | 24 | -220.96 | -9.207 | 0.083 | 4.11 | ||||
| cnt77 | 28 | -258.63 | -9.237 | 0.053 | 4.77 | ||||
| cnt88 | 32 | -296.06 | -9.252 | 0.038 | 5.46 | ||||
| cnt71 | 76 | -692.51 | -9.112 | 0.178 | 3.01 | ||||