sid int64 0 10.4M | source_alex_id int64 1,000k 11.7M | formula stringlengths 1 21 | natoms int64 1 236 | energy_total_eV float64 -15,761.64 -0 | energy_linref_eV float64 -15,686.61 569 |
|---|---|---|---|---|---|
11,200 | 3,294,421 | Ni12Pr | 13 | -75.229792 | -2.301539 |
11,201 | 3,288,251 | F10Mn4 | 14 | -83.329335 | 2.202716 |
11,202 | 3,288,251 | F10Mn4 | 14 | -83.158569 | 2.373482 |
11,203 | 3,288,251 | F10Mn4 | 14 | -82.780401 | 2.751651 |
11,204 | 3,288,251 | F10Mn4 | 14 | -82.608382 | 2.92367 |
11,205 | 3,288,251 | F10Mn4 | 14 | -82.438497 | 3.093555 |
11,206 | 3,288,251 | F10Mn4 | 14 | -81.477918 | 4.054134 |
11,207 | 3,288,251 | F10Mn4 | 14 | -80.300634 | 5.231417 |
11,208 | 3,295,274 | NPr2 | 3 | -20.3274 | -1.759763 |
11,209 | 3,295,274 | NPr2 | 3 | -20.323037 | -1.7554 |
11,210 | 3,296,609 | As4Sc12 | 16 | -106.023842 | -6.934488 |
11,211 | 3,296,609 | As4Sc12 | 16 | -105.962969 | -6.873615 |
11,212 | 3,288,521 | As4Sc10 | 14 | -93.241643 | -7.241151 |
11,213 | 3,288,521 | As4Sc10 | 14 | -93.188448 | -7.187955 |
11,214 | 3,288,132 | As4Cd6 | 10 | -24.324319 | 1.088894 |
11,215 | 3,288,132 | As4Cd6 | 10 | -24.292992 | 1.12022 |
11,216 | 3,290,560 | Ag10In6 | 16 | -44.928905 | -5.242944 |
11,217 | 3,290,560 | Ag10In6 | 16 | -44.893686 | -5.207724 |
11,218 | 3,298,908 | Ag10In2 | 12 | -34.269897 | -5.548104 |
11,219 | 3,298,908 | Ag10In2 | 12 | -34.228737 | -5.506944 |
11,220 | 3,288,963 | Ag14In4 | 18 | -49.309034 | -5.809273 |
11,221 | 3,288,963 | Ag14In4 | 18 | -49.311637 | -5.811876 |
11,222 | 3,288,399 | Ag10In4 | 14 | -39.466985 | -5.263108 |
11,223 | 3,288,399 | Ag10In4 | 14 | -39.41236 | -5.208483 |
11,224 | 3,297,312 | Ag8In2 | 10 | -28.432831 | -4.35898 |
11,225 | 3,297,312 | Ag8In2 | 10 | -28.34531 | -4.271458 |
11,226 | 3,291,418 | Nb6Ta14 | 20 | -221.187445 | 3.22999 |
11,227 | 3,291,418 | Nb6Ta14 | 20 | -221.190855 | 3.22658 |
11,228 | 3,299,782 | Hg7Na | 8 | -4.146249 | -1.900898 |
11,229 | 3,299,782 | Hg7Na | 8 | -4.159619 | -1.914268 |
11,230 | 3,285,818 | Ag2Sc13 | 15 | -88.375583 | 1.349958 |
11,231 | 3,285,818 | Ag2Sc13 | 15 | -88.367582 | 1.357959 |
11,232 | 3,296,225 | Ag2Sc6 | 8 | -44.567841 | -0.653315 |
11,233 | 3,296,225 | Ag2Sc6 | 8 | -44.561977 | -0.647451 |
11,234 | 3,291,950 | Nb8Ta10 | 18 | -195.552858 | 2.039009 |
11,235 | 3,291,950 | Nb8Ta10 | 18 | -195.550914 | 2.040952 |
11,236 | 3,299,075 | Cd10Ni2 | 12 | -20.642677 | -1.179093 |
11,237 | 3,299,075 | Cd10Ni2 | 12 | -20.502362 | -1.038778 |
11,238 | 3,298,384 | Cd8Ni2 | 10 | -18.148016 | -0.303442 |
11,239 | 3,298,384 | Cd8Ni2 | 10 | -18.080134 | -0.23556 |
11,240 | 3,296,732 | Cd6Ni2 | 8 | -16.665914 | -0.440348 |
11,241 | 3,296,732 | Cd6Ni2 | 8 | -16.611035 | -0.38547 |
11,242 | 3,290,627 | Re3V5 | 8 | -85.65212 | -7.117397 |
11,243 | 3,290,627 | Re3V5 | 8 | -85.303418 | -6.768696 |
11,244 | 3,290,627 | Re3V5 | 8 | -85.572778 | -7.038055 |
11,245 | 3,287,992 | N2Sc3 | 5 | -43.306043 | -5.405577 |
11,246 | 3,287,992 | N2Sc3 | 5 | -43.297313 | -5.396848 |
11,247 | 3,293,733 | Au2O2 | 4 | -15.443904 | 6.325363 |
11,248 | 3,293,733 | Au2O2 | 4 | -15.391728 | 6.37754 |
11,249 | 3,293,733 | Au2O2 | 4 | -15.348036 | 6.421231 |
11,250 | 3,293,733 | Au2O2 | 4 | -15.328204 | 6.441063 |
11,251 | 3,295,038 | F4Sb2 | 6 | -27.41063 | 1.842131 |
11,252 | 3,295,038 | F4Sb2 | 6 | -27.350508 | 1.902253 |
11,253 | 3,295,038 | F4Sb2 | 6 | -27.280787 | 1.971974 |
11,254 | 3,295,038 | F4Sb2 | 6 | -27.128663 | 2.124098 |
11,255 | 3,295,038 | F4Sb2 | 6 | -27.062487 | 2.190274 |
11,256 | 3,295,038 | F4Sb2 | 6 | -27.002339 | 2.250422 |
11,257 | 3,295,038 | F4Sb2 | 6 | -26.881412 | 2.371349 |
11,258 | 3,295,038 | F4Sb2 | 6 | -26.725509 | 2.527252 |
11,259 | 3,291,725 | Au8Hg3 | 11 | -25.222717 | 1.324635 |
11,260 | 3,291,725 | Au8Hg3 | 11 | -25.165699 | 1.381653 |
11,261 | 3,296,840 | Au2Hg6 | 8 | -7.986427 | -0.911438 |
11,262 | 3,296,840 | Au2Hg6 | 8 | -7.887081 | -0.812093 |
11,263 | 3,296,840 | Au2Hg6 | 8 | -7.777451 | -0.702463 |
11,264 | 3,296,840 | Au2Hg6 | 8 | -7.886479 | -0.811491 |
11,265 | 3,296,840 | Au2Hg6 | 8 | -7.791678 | -0.71669 |
11,266 | 3,296,840 | Au2Hg6 | 8 | -7.686048 | -0.61106 |
11,267 | 3,288,527 | As4Zr10 | 14 | -114.196351 | -5.344628 |
11,268 | 3,288,527 | As4Zr10 | 14 | -114.192753 | -5.341029 |
11,269 | 3,295,768 | F4K2 | 6 | -20.989555 | 2.387957 |
11,270 | 3,295,768 | F4K2 | 6 | -20.869438 | 2.508074 |
11,271 | 3,295,768 | F4K2 | 6 | -20.575114 | 2.802398 |
11,272 | 3,299,583 | Ag6Li | 7 | -18.801655 | -2.52431 |
11,273 | 3,299,583 | Ag6Li | 7 | -18.974048 | -2.696703 |
11,274 | 3,299,583 | Ag6Li | 7 | -18.87701 | -2.599665 |
11,275 | 3,299,583 | Ag6Li | 7 | -18.792714 | -2.515369 |
11,276 | 3,299,583 | Ag6Li | 7 | -18.71509 | -2.437746 |
11,277 | 3,299,583 | Ag6Li | 7 | -18.541264 | -2.263919 |
11,278 | 3,299,583 | Ag6Li | 7 | -18.352092 | -2.074747 |
11,279 | 3,299,583 | Ag6Li | 7 | -15.596685 | 0.68066 |
11,280 | 3,299,583 | Ag6Li | 7 | -15.377667 | 0.899678 |
11,281 | 3,299,583 | Ag6Li | 7 | -12.753646 | 3.523699 |
11,282 | 3,299,583 | Ag6Li | 7 | -8.81882 | 7.458525 |
11,283 | 3,299,583 | Ag6Li | 7 | -7.219383 | 9.057962 |
11,284 | 3,285,473 | Ag13Li2 | 15 | -41.689919 | -6.811258 |
11,285 | 3,285,473 | Ag13Li2 | 15 | -41.694137 | -6.815476 |
11,286 | 3,286,416 | Ac2Cd17 | 19 | -27.38698 | -4.710149 |
11,287 | 3,286,416 | Ac2Cd17 | 19 | -27.389272 | -4.712441 |
11,288 | 3,292,570 | Pb5Pd4 | 9 | -40.691144 | -0.773085 |
11,289 | 3,292,570 | Pb5Pd4 | 9 | -40.689341 | -0.771282 |
11,290 | 3,291,255 | Pb3Pd7 | 10 | -49.868677 | -0.430361 |
11,291 | 3,291,255 | Pb3Pd7 | 10 | -49.858439 | -0.420123 |
11,292 | 3,291,789 | Pb3Pd8 | 11 | -52.034887 | 2.944185 |
11,293 | 3,291,789 | Pb3Pd8 | 11 | -52.016882 | 2.96219 |
11,294 | 3,288,594 | Pb10Pd4 | 14 | -59.926701 | -2.25361 |
11,295 | 3,288,594 | Pb10Pd4 | 14 | -59.926408 | -2.253318 |
11,296 | 3,292,980 | Pb6Pd5 | 11 | -49.745566 | -0.735744 |
11,297 | 3,292,980 | Pb6Pd5 | 11 | -49.744236 | -0.734414 |
11,298 | 3,287,360 | Pb2Pd3 | 5 | -23.815193 | -0.09091 |
11,299 | 3,287,360 | Pb2Pd3 | 5 | -23.811372 | -0.08709 |
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