Synthesizable
int64 0
1
| Material ID
int64 0
490
| Formula
int64 0
448
| Crystal System
int64 0
0
| Space Group Symbol
int64 0
41
| Space Group Number
int64 1
230
| Sites
int64 2
200
| Energy Above Hull
float64 0
5.54
| Formation Energy
float64 -5.15
4.33
| Predicted Stable
int64 0
1
| Volume
float64 21.1
3.48k
| Density
float64 0.24
17.1
| Band Gap
float64 0
4.02
| Is Gap Direct
int64 0
1
| Is Metal
int64 0
1
| Magnetic Ordering
int64 0
0
| Total Magnetization
float64 0
218
|
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 143 | 181 | 0 | 0 | 216 | 10 | 0.183316 | -2.093783 | 0 | 129.599819 | 6.944694 | 0 | 0 | 1 | 0 | 4 |
1 | 1 | 123 | 0 | 0 | 216 | 3 | 0.122412 | -0.108586 | 0 | 49.957242 | 7.923663 | 0 | 0 | 1 | 0 | 3.001788 |
1 | 215 | 242 | 0 | 0 | 216 | 3 | 0.889626 | 0.733068 | 0 | 50.184044 | 6.586862 | 0 | 0 | 1 | 0 | 0.597614 |
1 | 243 | 226 | 0 | 0 | 216 | 3 | 0.167609 | -0.218307 | 0 | 49.615642 | 7.84446 | 0 | 0 | 1 | 0 | 0.994668 |
1 | 142 | 133 | 0 | 0 | 216 | 10 | 0.200405 | -2.118404 | 0 | 129.975592 | 4.545836 | 0 | 0 | 1 | 0 | 2.000001 |
1 | 146 | 52 | 0 | 15 | 201 | 40 | 0.096654 | -2.552756 | 0 | 526.279174 | 7.25049 | 0 | 0 | 1 | 0 | 45.68377 |
1 | 2 | 42 | 0 | 0 | 216 | 3 | 0.247711 | -0.010901 | 0 | 50.40266 | 7.756716 | 0 | 0 | 1 | 0 | 2.001281 |
1 | 83 | 182 | 0 | 0 | 216 | 10 | 0.07458 | -2.333869 | 0 | 112.583422 | 6.720489 | 0 | 0 | 1 | 0 | 1 |
1 | 100 | 80 | 0 | 11 | 198 | 24 | 0.010727 | -0.250329 | 0 | 294.510474 | 9.390369 | 0 | 0 | 1 | 0 | 8.354994 |
1 | 244 | 225 | 0 | 0 | 216 | 3 | 0.311805 | -0.313655 | 0 | 43.296573 | 7.123874 | 0 | 0 | 1 | 0 | 0.98307 |
1 | 98 | 77 | 0 | 11 | 198 | 24 | 0.001101 | -0.238218 | 0 | 311.455632 | 9.897299 | 0 | 0 | 1 | 0 | 8.397568 |
1 | 136 | 136 | 0 | 0 | 216 | 10 | 0.179969 | -2.515104 | 0 | 130.59335 | 6.055512 | 0.3405 | 0 | 0 | 0 | 3.000001 |
0 | 186 | 41 | 0 | 13 | 205 | 128 | 0.028512 | -1.115639 | 0 | 1,055.444868 | 2.039098 | 4.02 | 1 | 0 | 0 | 7.999809 |
1 | 149 | 103 | 0 | 0 | 216 | 10 | 0.18375 | -2.186865 | 0 | 137.189174 | 4.699596 | 0 | 0 | 1 | 0 | 9.000001 |
1 | 55 | 81 | 0 | 3 | 225 | 10 | 0.107948 | -1.712074 | 0 | 128.95671 | 9.658586 | 2.3575 | 0 | 0 | 0 | 4.000547 |
1 | 131 | 13 | 0 | 0 | 216 | 10 | 0.270359 | -2.60888 | 0 | 147.952804 | 6.569913 | 0 | 0 | 1 | 0 | 3.306669 |
1 | 69 | 82 | 0 | 13 | 205 | 56 | 1.747983 | 0.450563 | 0 | 697.496196 | 3.380096 | 0 | 0 | 1 | 0 | 23.618196 |
1 | 91 | 121 | 0 | 0 | 216 | 4 | 0.051095 | -0.248368 | 0 | 46.089248 | 7.08678 | 0 | 0 | 1 | 0 | 2.998098 |
1 | 132 | 140 | 0 | 0 | 216 | 10 | 0.152727 | -2.192905 | 0 | 139.127083 | 4.927071 | 0 | 0 | 1 | 0 | 4 |
1 | 95 | 75 | 0 | 0 | 216 | 16 | 0 | -0.554933 | 1 | 288.015035 | 4.417962 | 0 | 0 | 1 | 0 | 2.311724 |
0 | 169 | 4 | 0 | 3 | 225 | 10 | 0.00329 | -2.495238 | 0 | 136.651396 | 6.348449 | 0 | 0 | 1 | 0 | 4 |
1 | 138 | 130 | 0 | 0 | 216 | 10 | 0.183943 | -2.200481 | 0 | 130.984603 | 4.784552 | 0 | 0 | 1 | 0 | 4.000001 |
1 | 102 | 38 | 0 | 0 | 216 | 14 | 0.029328 | -0.709079 | 0 | 288.111315 | 5.527547 | 0 | 0 | 1 | 0 | 14.914494 |
0 | 195 | 5 | 0 | 3 | 225 | 10 | 0.003049 | -2.483334 | 0 | 135.801698 | 7.491926 | 0 | 0 | 1 | 0 | 3.000002 |
1 | 5 | 199 | 0 | 0 | 216 | 4 | 0.32007 | 0.039998 | 0 | 64.923274 | 6.813622 | 0 | 0 | 1 | 0 | 0.661224 |
1 | 65 | 153 | 0 | 1 | 227 | 10 | 0.828854 | 0.828854 | 0 | 215.984195 | 15.435609 | 0 | 0 | 1 | 0 | 24.797067 |
1 | 125 | 131 | 0 | 0 | 216 | 10 | 0.260243 | -1.984213 | 0 | 132.144581 | 4.610157 | 0 | 0 | 1 | 0 | 8.013996 |
1 | 141 | 105 | 0 | 0 | 216 | 10 | 0.202713 | -2.159537 | 0 | 139.704834 | 4.533076 | 0 | 0 | 1 | 0 | 4 |
1 | 124 | 177 | 0 | 0 | 216 | 10 | 0.136004 | -2.637521 | 0 | 132.294372 | 5.548412 | 0.2975 | 0 | 0 | 0 | 2.997235 |
0 | 170 | 15 | 0 | 3 | 225 | 10 | 0.186049 | -2.483879 | 0 | 124.241345 | 5.557846 | 0 | 0 | 1 | 0 | 4.00002 |
1 | 70 | 83 | 0 | 13 | 205 | 96 | 0.94751 | 0.073068 | 0 | 1,453.6434 | 2.074331 | 0 | 0 | 1 | 0 | 1.842016 |
1 | 129 | 179 | 0 | 0 | 216 | 10 | 0.112598 | -2.541702 | 0 | 127.212757 | 7.509079 | 0 | 0 | 1 | 0 | 10.776271 |
0 | 183 | 208 | 0 | 0 | 216 | 3 | 0.710051 | 0.407513 | 0 | 60.298627 | 6.125188 | 0 | 0 | 1 | 0 | 1.477086 |
0 | 174 | 217 | 0 | 1 | 227 | 14 | 0.048888 | -2.182336 | 0 | 160.745491 | 4.580956 | 0 | 0 | 1 | 0 | 8.340905 |
1 | 130 | 141 | 0 | 0 | 216 | 10 | 0.134003 | -2.241685 | 0 | 134.708438 | 5.194271 | 0 | 0 | 1 | 0 | 4 |
1 | 23 | 100 | 0 | 3 | 225 | 10 | 0.128111 | -2.480206 | 0 | 179.981088 | 4.13907 | 0 | 0 | 1 | 0 | 4.098249 |
1 | 105 | 27 | 0 | 3 | 225 | 4 | 0.352932 | 0.320442 | 0 | 86.637174 | 4.687592 | 0 | 0 | 1 | 0 | 1.731891 |
1 | 213 | 79 | 0 | 0 | 216 | 3 | 0.604161 | 0.559345 | 0 | 43.407308 | 8.051815 | 0 | 0 | 1 | 0 | 0.548087 |
0 | 188 | 90 | 0 | 1 | 227 | 24 | 0 | -0.182481 | 1 | 436.676887 | 12.558705 | 0 | 0 | 1 | 0 | 7.419998 |
1 | 120 | 6 | 0 | 3 | 225 | 10 | 0.081158 | -2.283854 | 0 | 156.251539 | 5.463682 | 0 | 0 | 1 | 0 | 2 |
1 | 21 | 129 | 0 | 3 | 225 | 10 | 0.259721 | -2.307702 | 0 | 172.372526 | 4.011409 | 0 | 0 | 1 | 0 | 4.182213 |
1 | 158 | 135 | 0 | 0 | 216 | 10 | 0.270169 | -2.309384 | 0 | 130.22927 | 6.238949 | 0 | 0 | 1 | 0 | 3.00339 |
1 | 99 | 73 | 0 | 0 | 216 | 14 | 0.060777 | -0.709688 | 0 | 228.744424 | 5.683503 | 0 | 0 | 1 | 0 | 0.920109 |
1 | 33 | 197 | 0 | 3 | 225 | 4 | 0.008989 | -0.449709 | 0 | 55.916459 | 7.411694 | 0 | 0 | 1 | 0 | 0.48346 |
1 | 29 | 126 | 0 | 3 | 225 | 4 | 0.025324 | -0.191578 | 0 | 47.619995 | 7.415798 | 0 | 0 | 1 | 0 | 0.1218 |
1 | 216 | 228 | 0 | 0 | 216 | 4 | 0.946906 | 0.679067 | 0 | 67.153323 | 6.045094 | 0 | 0 | 1 | 0 | 0.999161 |
1 | 139 | 102 | 0 | 0 | 216 | 10 | 0.248547 | -2.009508 | 0 | 139.538124 | 4.557579 | 0 | 0 | 1 | 0 | 8.004643 |
0 | 219 | 54 | 0 | 1 | 227 | 14 | 0.01025 | -1.306187 | 0 | 137.359329 | 5.73574 | 0 | 0 | 1 | 0 | 3.994774 |
1 | 52 | 76 | 0 | 2 | 226 | 62 | 0.808037 | 0.387971 | 0 | 1,369.371686 | 3.469035 | 0 | 0 | 1 | 0 | 15.95574 |
0 | 227 | 37 | 0 | 0 | 216 | 14 | 0.036758 | -0.886219 | 0 | 243.450836 | 3.982657 | 0 | 0 | 1 | 0 | 14.749205 |
1 | 17 | 196 | 0 | 0 | 216 | 4 | 0.297617 | -0.348008 | 0 | 54.09834 | 5.51477 | 0 | 0 | 1 | 0 | 2.00199 |
1 | 253 | 125 | 0 | 0 | 216 | 4 | 0.044233 | -0.128043 | 0 | 46.691529 | 8.515425 | 0 | 0 | 1 | 0 | 3.030165 |
1 | 127 | 8 | 0 | 0 | 216 | 10 | 0.131159 | -2.623864 | 0 | 136.918498 | 5.96387 | 0.1723 | 0 | 0 | 0 | 3 |
1 | 156 | 110 | 0 | 0 | 216 | 10 | 0.18937 | -2.470528 | 0 | 132.315136 | 6.204 | 0.271 | 0 | 0 | 0 | 3 |
1 | 234 | 74 | 0 | 12 | 212 | 48 | 0.13298 | -1.0243 | 0 | 512.272894 | 4.676074 | 0.2459 | 0 | 0 | 0 | 20.000521 |
1 | 153 | 137 | 0 | 0 | 216 | 10 | 0.19325 | -2.457328 | 0 | 129.872475 | 6.114723 | 0.3404 | 0 | 0 | 0 | 3.000001 |
1 | 155 | 128 | 0 | 3 | 225 | 10 | 0.179096 | -1.987888 | 0 | 133.449031 | 4.205032 | 0 | 0 | 1 | 0 | 2 |
0 | 203 | 55 | 0 | 1 | 227 | 14 | 0.136546 | -0.654856 | 0 | 206.455687 | 4.849844 | 0 | 0 | 1 | 0 | 0.555735 |
0 | 115 | 219 | 0 | 14 | 221 | 2 | 0.021581 | -0.128141 | 0 | 25.399386 | 6.981395 | 0 | 0 | 1 | 0 | 0.863437 |
1 | 235 | 195 | 0 | 3 | 225 | 4 | 0 | -0.667715 | 1 | 57.064273 | 10.004275 | 0 | 0 | 1 | 0 | 0.87599 |
1 | 239 | 91 | 0 | 3 | 225 | 4 | 0 | -0.670987 | 1 | 66.402588 | 15.130372 | 0 | 0 | 1 | 0 | 0.984666 |
1 | 134 | 138 | 0 | 0 | 216 | 10 | 0.135427 | -2.245977 | 0 | 134.043144 | 5.264335 | 0 | 0 | 1 | 0 | 2 |
1 | 145 | 112 | 0 | 0 | 216 | 10 | 0.133058 | -2.222603 | 0 | 142.085269 | 5.01275 | 0 | 0 | 1 | 0 | 4 |
1 | 133 | 174 | 0 | 3 | 225 | 10 | 0.077155 | -2.687803 | 0 | 134.425416 | 6.047733 | 0.2219 | 0 | 0 | 0 | 3 |
1 | 18 | 7 | 0 | 3 | 225 | 10 | 2.272008 | -0.418886 | 0 | 196.155471 | 4.041705 | 0 | 0 | 1 | 0 | 1.08521 |
1 | 140 | 106 | 0 | 0 | 216 | 10 | 0.191653 | -2.200655 | 0 | 135.489064 | 4.779099 | 0 | 0 | 1 | 0 | 1.99862 |
1 | 162 | 111 | 0 | 0 | 216 | 10 | 0.178186 | -2.07328 | 0 | 143.729948 | 4.973921 | 0 | 0 | 1 | 0 | 8 |
1 | 150 | 9 | 0 | 0 | 216 | 10 | 0.157697 | -2.496062 | 0 | 132.080166 | 6.450628 | 0 | 0 | 1 | 0 | 4 |
1 | 28 | 92 | 0 | 3 | 225 | 4 | 0 | -0.576664 | 1 | 65.978288 | 12.979886 | 0 | 0 | 1 | 0 | 0.997834 |
1 | 96 | 78 | 0 | 11 | 198 | 24 | 0 | -0.34844 | 1 | 311.810437 | 11.774749 | 0 | 0 | 1 | 0 | 8.301329 |
1 | 121 | 6 | 0 | 15 | 201 | 40 | 0.09141 | -2.273603 | 0 | 627.875715 | 5.438711 | 0 | 0 | 1 | 0 | 8.000002 |
1 | 135 | 11 | 0 | 0 | 216 | 10 | 0 | -5.150986 | 1 | 142.42988 | 5.810837 | 0 | 0 | 1 | 0 | 9.646386 |
1 | 15 | 34 | 0 | 1 | 227 | 6 | 0.289243 | 0.289243 | 0 | 71.400544 | 7.434563 | 0 | 0 | 1 | 0 | 3.59407 |
1 | 119 | 108 | 0 | 0 | 216 | 10 | 0.174851 | -2.529216 | 0 | 133.368236 | 6.130083 | 0.2834 | 0 | 0 | 0 | 3 |
1 | 58 | 214 | 0 | 1 | 227 | 10 | 0.748918 | 0.718385 | 0 | 213.490803 | 15.679907 | 0 | 0 | 1 | 0 | 2.990676 |
1 | 137 | 142 | 0 | 0 | 216 | 10 | 0.141599 | -2.227012 | 0 | 134.455424 | 4.339297 | 0 | 0 | 1 | 0 | 2 |
1 | 24 | 164 | 0 | 3 | 225 | 10 | 0.098878 | -2.504058 | 0 | 186.519221 | 4.819617 | 0.2225 | 0 | 0 | 0 | 4.071611 |
0 | 223 | 215 | 0 | 8 | 229 | 17 | 0.005971 | -0.23576 | 0 | 313.582212 | 9.768064 | 0 | 0 | 1 | 0 | 8.177931 |
1 | 250 | 198 | 0 | 0 | 216 | 4 | 0.208195 | -0.238038 | 0 | 57.075532 | 6.438497 | 0 | 0 | 1 | 0 | 0.994065 |
0 | 37 | 183 | 0 | 3 | 225 | 21 | 1.62828 | -0.783287 | 0 | 508.983293 | 2.380821 | 0.0131 | 0 | 0 | 0 | 12.067276 |
1 | 231 | 114 | 0 | 12 | 212 | 56 | 0.029916 | -1.531053 | 0 | 526.52701 | 4.724605 | 0.3237 | 1 | 0 | 0 | 12.001419 |
1 | 161 | 107 | 0 | 0 | 216 | 10 | 0.184556 | -1.784294 | 0 | 128.273954 | 7.556923 | 0 | 0 | 1 | 0 | 4.174785 |
1 | 128 | 16 | 0 | 3 | 225 | 10 | 0.194629 | -2.575573 | 0 | 131.168861 | 4.948907 | 0.3616 | 0 | 0 | 0 | 3.000001 |
1 | 160 | 109 | 0 | 0 | 216 | 10 | 0.145655 | -2.424184 | 0 | 127.927925 | 6.667772 | 0 | 0 | 1 | 0 | 4.000001 |
1 | 152 | 134 | 0 | 0 | 216 | 10 | 0.197247 | -2.181462 | 0 | 132.213223 | 4.695195 | 0 | 0 | 1 | 0 | 1.996961 |
1 | 126 | 132 | 0 | 0 | 216 | 10 | 0.181026 | -2.176109 | 0 | 130.985198 | 4.485415 | 0 | 0 | 1 | 0 | 2.000001 |
1 | 103 | 36 | 0 | 0 | 216 | 14 | 0.051029 | -0.788088 | 0 | 266.930686 | 4.799242 | 0 | 0 | 1 | 0 | 14.786954 |
1 | 154 | 175 | 0 | 3 | 225 | 10 | 0.083002 | -2.67624 | 0 | 135.628451 | 5.950324 | 0.2273 | 0 | 0 | 0 | 3 |
1 | 214 | 185 | 0 | 0 | 216 | 3 | 0.695561 | 0.464765 | 0 | 59.092143 | 10.075638 | 0 | 0 | 1 | 0 | 1.39947 |
0 | 13 | 207 | 0 | 0 | 216 | 3 | 0 | -0.431601 | 1 | 53.92222 | 6.943428 | 0 | 0 | 1 | 0 | 0.988036 |
1 | 0 | 35 | 0 | 3 | 225 | 4 | 0.126792 | 0.126792 | 0 | 46.432694 | 7.575642 | 0 | 0 | 1 | 0 | 1.993153 |
1 | 147 | 53 | 0 | 3 | 225 | 10 | 0.113769 | -2.518545 | 0 | 128.465069 | 8.267589 | 0 | 0 | 1 | 0 | 17.569621 |
0 | 14 | 224 | 0 | 0 | 216 | 3 | 0.444055 | 0.168836 | 0 | 56.085356 | 6.766657 | 0 | 0 | 1 | 0 | 0.528629 |
1 | 237 | 200 | 0 | 3 | 225 | 4 | 0 | -0.338448 | 1 | 57.127012 | 6.002933 | 0 | 0 | 1 | 0 | 2.169427 |
1 | 157 | 139 | 0 | 0 | 216 | 10 | 0.178639 | -2.174396 | 0 | 145.428451 | 4.582792 | 0 | 0 | 1 | 0 | 2 |
1 | 242 | 246 | 0 | 0 | 216 | 3 | 0.03951 | -0.504805 | 0 | 59.013904 | 7.564337 | 0 | 0 | 1 | 0 | 0.997981 |
1 | 101 | 39 | 0 | 0 | 216 | 14 | 0.050574 | -0.881514 | 0 | 235.561872 | 4.081829 | 0 | 0 | 1 | 0 | 13.173591 |
1 | 151 | 10 | 0 | 0 | 216 | 10 | 0.135532 | -2.613775 | 0 | 137.886987 | 5.878932 | 0.1801 | 0 | 0 | 0 | 3.000001 |
1 | 148 | 104 | 0 | 0 | 216 | 10 | 0.186776 | -2.192368 | 0 | 134.463212 | 4.568327 | 0 | 0 | 1 | 0 | 2 |
1 | 122 | 116 | 0 | 0 | 216 | 10 | 0.163081 | -2.153872 | 0 | 109.64512 | 5.313119 | 0 | 0 | 1 | 0 | 8.003855 |