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 |
|---|---|---|---|---|---|
1,200 | 3,296,734 | Sn6Tc2 | 8 | -44.571716 | -0.531472 |
1,201 | 3,296,734 | Sn6Tc2 | 8 | -44.568476 | -0.528232 |
1,202 | 3,292,577 | Pu5Tc4 | 9 | -112.016627 | -0.309649 |
1,203 | 3,292,577 | Pu5Tc4 | 9 | -111.915386 | -0.208408 |
1,204 | 3,292,577 | Pu5Tc4 | 9 | -111.733739 | -0.02676 |
1,205 | 3,292,577 | Pu5Tc4 | 9 | -111.502005 | 0.204974 |
1,206 | 3,292,577 | Pu5Tc4 | 9 | -111.417834 | 0.289145 |
1,207 | 3,286,756 | Au2Pu3 | 5 | -50.667515 | -0.503578 |
1,208 | 3,286,756 | Au2Pu3 | 5 | -50.599788 | -0.435852 |
1,209 | 3,286,756 | Au2Pu3 | 5 | -50.543997 | -0.38006 |
1,210 | 3,286,756 | Au2Pu3 | 5 | -50.492517 | -0.32858 |
1,211 | 3,286,756 | Au2Pu3 | 5 | -50.424689 | -0.260752 |
1,212 | 3,286,756 | Au2Pu3 | 5 | -49.756173 | 0.407763 |
1,213 | 3,286,756 | Au2Pu3 | 5 | -49.700161 | 0.463776 |
1,214 | 3,286,756 | Au2Pu3 | 5 | -49.641267 | 0.52267 |
1,215 | 3,286,756 | Au2Pu3 | 5 | -49.562501 | 0.601435 |
1,216 | 3,286,756 | Au2Pu3 | 5 | -49.487133 | 0.676804 |
1,217 | 3,286,756 | Au2Pu3 | 5 | -49.436006 | 0.727931 |
1,218 | 3,286,756 | Au2Pu3 | 5 | -49.328235 | 0.835702 |
1,219 | 3,286,756 | Au2Pu3 | 5 | -49.408366 | 0.755571 |
1,220 | 3,286,756 | Au2Pu3 | 5 | -49.335083 | 0.828854 |
1,221 | 3,286,756 | Au2Pu3 | 5 | -49.279119 | 0.884818 |
1,222 | 3,286,756 | Au2Pu3 | 5 | -49.201896 | 0.96204 |
1,223 | 3,286,756 | Au2Pu3 | 5 | -49.04747 | 1.116466 |
1,224 | 3,286,756 | Au2Pu3 | 5 | -48.686387 | 1.477549 |
1,225 | 3,290,600 | Pu5Rh3 | 8 | -95.974394 | -0.162241 |
1,226 | 3,290,600 | Pu5Rh3 | 8 | -95.888796 | -0.076642 |
1,227 | 3,290,600 | Pu5Rh3 | 8 | -95.785725 | 0.026429 |
1,228 | 3,290,600 | Pu5Rh3 | 8 | -95.676906 | 0.135247 |
1,229 | 3,297,536 | P8Pu2 | 10 | -75.131297 | 2.84131 |
1,230 | 3,297,536 | P8Pu2 | 10 | -75.019307 | 2.9533 |
1,231 | 3,297,536 | P8Pu2 | 10 | -74.759611 | 3.212996 |
1,232 | 3,297,536 | P8Pu2 | 10 | -74.329193 | 3.643414 |
1,233 | 3,294,687 | Pa2Pu | 3 | -31.911683 | 3.625045 |
1,234 | 3,294,687 | Pa2Pu | 3 | -31.91174 | 3.624989 |
1,235 | 3,287,519 | Ge6Pu4 | 10 | -88.78609 | -0.322325 |
1,236 | 3,287,519 | Ge6Pu4 | 10 | -88.679242 | -0.215477 |
1,237 | 3,287,519 | Ge6Pu4 | 10 | -88.576956 | -0.113192 |
1,238 | 3,287,519 | Ge6Pu4 | 10 | -88.455503 | 0.008261 |
1,239 | 3,287,519 | Ge6Pu4 | 10 | -88.27885 | 0.184915 |
1,240 | 3,287,519 | Ge6Pu4 | 10 | -87.968621 | 0.495144 |
1,241 | 3,287,519 | Ge6Pu4 | 10 | -87.847339 | 0.616425 |
1,242 | 3,287,519 | Ge6Pu4 | 10 | -87.649157 | 0.814608 |
1,243 | 3,287,519 | Ge6Pu4 | 10 | -87.805133 | 0.658632 |
1,244 | 3,287,519 | Ge6Pu4 | 10 | -87.552167 | 0.911597 |
1,245 | 3,287,519 | Ge6Pu4 | 10 | -87.383701 | 1.080064 |
1,246 | 3,287,519 | Ge6Pu4 | 10 | -87.185791 | 1.277973 |
1,247 | 3,287,519 | Ge6Pu4 | 10 | -87.078834 | 1.384931 |
1,248 | 3,287,519 | Ge6Pu4 | 10 | -84.858994 | 3.604771 |
1,249 | 3,285,693 | F13Ta2 | 15 | -85.786449 | 4.259458 |
1,250 | 3,285,693 | F13Ta2 | 15 | -85.531753 | 4.514154 |
1,251 | 3,285,693 | F13Ta2 | 15 | -85.330006 | 4.715901 |
1,252 | 3,285,693 | F13Ta2 | 15 | -84.732929 | 5.312978 |
1,253 | 3,285,693 | F13Ta2 | 15 | -84.540145 | 5.505762 |
1,254 | 3,285,693 | F13Ta2 | 15 | -84.370869 | 5.675038 |
1,255 | 3,285,693 | F13Ta2 | 15 | -83.84809 | 6.197817 |
1,256 | 3,285,693 | F13Ta2 | 15 | -83.518658 | 6.527249 |
1,257 | 3,285,693 | F13Ta2 | 15 | -83.370552 | 6.675355 |
1,258 | 3,290,917 | In5Pu3 | 8 | -57.994747 | -0.699844 |
1,259 | 3,290,917 | In5Pu3 | 8 | -57.594052 | -0.29915 |
1,260 | 3,290,917 | In5Pu3 | 8 | -57.509834 | -0.214931 |
1,261 | 3,290,917 | In5Pu3 | 8 | -57.413121 | -0.118218 |
1,262 | 3,290,917 | In5Pu3 | 8 | -57.298622 | -0.00372 |
1,263 | 3,290,917 | In5Pu3 | 8 | -57.057228 | 0.237674 |
1,264 | 3,290,917 | In5Pu3 | 8 | -56.562155 | 0.732747 |
1,265 | 3,298,972 | Hg5Pu | 6 | -16.276979 | -1.329796 |
1,266 | 3,298,972 | Hg5Pu | 6 | -16.223166 | -1.275983 |
1,267 | 3,296,875 | Pt6Pu2 | 8 | -69.629713 | -0.953402 |
1,268 | 3,296,875 | Pt6Pu2 | 8 | -69.523686 | -0.847376 |
1,269 | 3,296,875 | Pt6Pu2 | 8 | -69.325142 | -0.648832 |
1,270 | 3,296,875 | Pt6Pu2 | 8 | -69.437503 | -0.761192 |
1,271 | 3,295,023 | Pu4Zr8 | 12 | -124.765136 | 3.990883 |
1,272 | 3,295,023 | Pu4Zr8 | 12 | -124.643659 | 4.11236 |
1,273 | 3,295,023 | Pu4Zr8 | 12 | -124.491781 | 4.264238 |
1,274 | 3,295,023 | Pu4Zr8 | 12 | -124.186817 | 4.569202 |
1,275 | 3,295,023 | Pu4Zr8 | 12 | -123.686449 | 5.069571 |
1,276 | 3,290,928 | Hg5Pu3 | 8 | -45.252201 | -1.245224 |
1,277 | 3,290,928 | Hg5Pu3 | 8 | -45.151617 | -1.14464 |
1,278 | 3,290,928 | Hg5Pu3 | 8 | -45.05867 | -1.051693 |
1,279 | 3,290,928 | Hg5Pu3 | 8 | -44.957367 | -0.95039 |
1,280 | 3,290,928 | Hg5Pu3 | 8 | -44.859763 | -0.852786 |
1,281 | 3,290,928 | Hg5Pu3 | 8 | -44.631957 | -0.62498 |
1,282 | 3,290,928 | Hg5Pu3 | 8 | -44.52623 | -0.519253 |
1,283 | 3,290,928 | Hg5Pu3 | 8 | -44.429496 | -0.422519 |
1,284 | 3,290,928 | Hg5Pu3 | 8 | -43.861839 | 0.145138 |
1,285 | 3,290,928 | Hg5Pu3 | 8 | -44.345822 | -0.338845 |
1,286 | 3,290,928 | Hg5Pu3 | 8 | -44.165025 | -0.158048 |
1,287 | 3,290,928 | Hg5Pu3 | 8 | -44.074955 | -0.067978 |
1,288 | 3,290,928 | Hg5Pu3 | 8 | -43.885077 | 0.1219 |
1,289 | 3,290,928 | Hg5Pu3 | 8 | -43.467311 | 0.539666 |
1,290 | 3,297,071 | Pu4Zr12 | 16 | -157.196558 | 6.877677 |
1,291 | 3,297,071 | Pu4Zr12 | 16 | -157.196809 | 6.877425 |
1,292 | 3,299,172 | PuRh5 | 6 | -52.158346 | 0.975998 |
1,293 | 3,299,172 | PuRh5 | 6 | -52.463888 | 0.670455 |
1,294 | 3,299,172 | PuRh5 | 6 | -52.396819 | 0.737524 |
1,295 | 3,299,172 | PuRh5 | 6 | -51.436933 | 1.697411 |
1,296 | 3,299,172 | PuRh5 | 6 | -42.154211 | 10.980133 |
1,297 | 3,290,644 | Pu10Sb6 | 16 | -174.965467 | -3.378224 |
1,298 | 3,290,644 | Pu10Sb6 | 16 | -175.547062 | -3.959818 |
1,299 | 3,290,644 | Pu10Sb6 | 16 | -175.307174 | -3.71993 |
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