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 |
|---|---|---|---|---|---|
200 | 3,296,837 | Ga6Pd2 | 8 | -30.674443 | 0.199221 |
201 | 3,299,727 | Ag7Pd | 8 | -25.148398 | -3.339846 |
202 | 3,299,727 | Ag7Pd | 8 | -25.117205 | -3.308652 |
203 | 3,285,708 | F13Hg2 | 15 | -31.30708 | 35.452346 |
204 | 3,285,708 | F13Hg2 | 15 | -31.010689 | 35.748737 |
205 | 3,285,708 | F13Hg2 | 15 | -30.857514 | 35.901912 |
206 | 3,285,708 | F13Hg2 | 15 | -30.209986 | 36.54944 |
207 | 3,285,708 | F13Hg2 | 15 | -30.024581 | 36.734845 |
208 | 3,285,708 | F13Hg2 | 15 | -29.857245 | 36.902181 |
209 | 3,285,708 | F13Hg2 | 15 | -29.666523 | 37.092903 |
210 | 3,285,708 | F13Hg2 | 15 | -28.92023 | 37.839196 |
211 | 3,295,862 | Os2Ru4 | 6 | -59.567843 | -2.026474 |
212 | 3,295,862 | Os2Ru4 | 6 | -59.56258 | -2.021211 |
213 | 3,292,572 | Hg4Pd5 | 9 | -28.057385 | -0.019774 |
214 | 3,292,572 | Hg4Pd5 | 9 | -28.051252 | -0.01364 |
215 | 3,285,528 | Hg13Pb2 | 15 | -10.111508 | -1.924552 |
216 | 3,285,528 | Hg13Pb2 | 15 | -9.948037 | -1.761081 |
217 | 3,285,528 | Hg13Pb2 | 15 | -9.78459 | -1.597635 |
218 | 3,285,528 | Hg13Pb2 | 15 | -9.633855 | -1.446899 |
219 | 3,285,528 | Hg13Pb2 | 15 | -9.544115 | -1.35716 |
220 | 3,298,267 | Ag2Pb8 | 10 | -34.913376 | -1.857383 |
221 | 3,298,267 | Ag2Pb8 | 10 | -34.919075 | -1.863082 |
222 | 3,300,317 | Hg8Pb | 9 | -5.879498 | -1.660835 |
223 | 3,300,317 | Hg8Pb | 9 | -5.861009 | -1.642346 |
224 | 3,290,789 | Hg3Zr5 | 8 | -44.906625 | -0.508484 |
225 | 3,290,789 | Hg3Zr5 | 8 | -44.897843 | -0.499702 |
226 | 3,296,245 | Os2Rh6 | 8 | -64.37137 | 2.871539 |
227 | 3,296,245 | Os2Rh6 | 8 | -64.364955 | 2.877954 |
228 | 3,299,604 | Au6Hg | 7 | -19.324184 | 0.482009 |
229 | 3,299,604 | Au6Hg | 7 | -19.250494 | 0.555699 |
230 | 3,299,604 | Au6Hg | 7 | -19.177547 | 0.628646 |
231 | 3,299,604 | Au6Hg | 7 | -19.033913 | 0.77228 |
232 | 3,299,604 | Au6Hg | 7 | -19.118366 | 0.687827 |
233 | 3,299,604 | Au6Hg | 7 | -19.085208 | 0.720985 |
234 | 3,300,164 | Au8Hg | 9 | -26.279931 | 0.100508 |
235 | 3,300,164 | Au8Hg | 9 | -26.280364 | 0.100074 |
236 | 3,297,382 | Au16Hg4 | 20 | -49.687022 | 3.240769 |
237 | 3,299,632 | Hg6I | 7 | -3.286404 | -0.440623 |
238 | 3,299,632 | Hg6I | 7 | -3.217044 | -0.371264 |
239 | 3,290,360 | Ag5Pd3 | 8 | -30.120427 | -1.878303 |
240 | 3,290,360 | Ag5Pd3 | 8 | -30.120783 | -1.878658 |
241 | 3,297,308 | AgPd4 | 5 | -23.613582 | 0.873415 |
242 | 3,297,308 | AgPd4 | 5 | -23.598106 | 0.888892 |
243 | 3,299,883 | Pb7Th | 8 | -34.057445 | -1.513514 |
244 | 3,299,883 | Pb7Th | 8 | -34.06375 | -1.519818 |
245 | 3,299,585 | Ag6Pd | 7 | -21.694472 | -2.20989 |
246 | 3,299,585 | Ag6Pd | 7 | -22.074613 | -2.590031 |
247 | 3,299,585 | Ag6Pd | 7 | -22.002542 | -2.51796 |
248 | 3,299,585 | Ag6Pd | 7 | -21.898959 | -2.414377 |
249 | 3,299,585 | Ag6Pd | 7 | -21.759239 | -2.274657 |
250 | 3,299,585 | Ag6Pd | 7 | -21.580573 | -2.095991 |
251 | 3,299,585 | Ag6Pd | 7 | -21.431477 | -1.946895 |
252 | 3,299,585 | Ag6Pd | 7 | -21.529768 | -2.045186 |
253 | 3,299,585 | Ag6Pd | 7 | -16.767917 | 2.716664 |
254 | 3,299,585 | Ag6Pd | 7 | -4.693925 | 14.790657 |
255 | 3,299,585 | Ag6Pd | 7 | -15.022562 | 4.46202 |
256 | 3,299,585 | Ag6Pd | 7 | -9.658062 | 9.82652 |
257 | 3,299,585 | Ag6Pd | 7 | -7.764335 | 11.720247 |
258 | 3,297,578 | Hg8Pb2 | 10 | -9.276549 | -1.506879 |
259 | 3,297,578 | Hg8Pb2 | 10 | -9.227176 | -1.457507 |
260 | 3,287,204 | Co12V8 | 20 | -158.099241 | -6.677631 |
261 | 3,287,204 | Co12V8 | 20 | -157.893326 | -6.471717 |
262 | 3,287,204 | Co12V8 | 20 | -157.966822 | -6.545212 |
263 | 3,292,346 | Ag4Cl5 | 9 | -23.442725 | 2.475989 |
264 | 3,292,346 | Ag4Cl5 | 9 | -23.374271 | 2.544443 |
265 | 3,285,529 | Cl2Hg13 | 15 | -8.592259 | -0.858184 |
266 | 3,285,529 | Cl2Hg13 | 15 | -8.603977 | -0.869902 |
267 | 3,295,287 | O2Zr4 | 6 | -54.493865 | -3.980628 |
268 | 3,295,287 | O2Zr4 | 6 | -54.56108 | -4.047843 |
269 | 3,295,287 | O2Zr4 | 6 | -54.233729 | -3.720492 |
270 | 3,295,287 | O2Zr4 | 6 | -54.167404 | -3.654167 |
271 | 3,295,287 | O2Zr4 | 6 | -52.524309 | -2.011072 |
272 | 3,295,287 | O2Zr4 | 6 | -53.320556 | -2.807319 |
273 | 3,295,287 | O2Zr4 | 6 | -38.3382 | 12.175037 |
274 | 3,295,287 | O2Zr4 | 6 | -25.53047 | 24.982767 |
275 | 3,286,031 | Pd13V2 | 15 | -88.152995 | 1.540174 |
276 | 3,286,031 | Pd13V2 | 15 | -87.870125 | 1.823044 |
277 | 3,286,031 | Pd13V2 | 15 | -87.510474 | 2.182696 |
278 | 3,286,031 | Pd13V2 | 15 | -87.772106 | 1.921064 |
279 | 3,286,031 | Pd13V2 | 15 | -87.60914 | 2.084029 |
280 | 3,286,031 | Pd13V2 | 15 | -87.558128 | 2.135041 |
281 | 3,296,482 | Si4V12 | 16 | -136.942627 | -6.980638 |
282 | 3,296,482 | Si4V12 | 16 | -136.942931 | -6.980942 |
283 | 3,285,903 | Zn2Zr13 | 15 | -114.167039 | 3.212463 |
284 | 3,285,903 | Zn2Zr13 | 15 | -114.163542 | 3.215961 |
285 | 3,289,951 | Ag4Pd3 | 7 | -26.700785 | -0.782632 |
286 | 3,289,951 | Ag4Pd3 | 7 | -26.676961 | -0.758808 |
287 | 3,296,835 | Ag2Pb6 | 8 | -27.53122 | -1.57724 |
288 | 3,296,835 | Ag2Pb6 | 8 | -27.514129 | -1.560149 |
289 | 3,285,652 | Pt2Zr13 | 15 | -126.975889 | 1.013816 |
290 | 3,285,652 | Pt2Zr13 | 15 | -126.968083 | 1.021623 |
291 | 3,299,831 | HgPd7 | 8 | -37.024659 | 1.844095 |
292 | 3,299,831 | HgPd7 | 8 | -37.007441 | 1.861313 |
293 | 3,287,362 | Pd6Zr4 | 10 | -70.513178 | -1.950423 |
294 | 3,287,362 | Pd6Zr4 | 10 | -70.497676 | -1.934921 |
295 | 3,290,424 | Hg3In5 | 8 | -14.480243 | -0.52466 |
296 | 3,290,424 | Hg3In5 | 8 | -14.481411 | -0.525828 |
297 | 3,290,678 | Cd3Zr5 | 8 | -46.387992 | 0.188291 |
298 | 3,290,678 | Cd3Zr5 | 8 | -46.380343 | 0.19594 |
299 | 3,287,403 | Ag6In4 | 10 | -27.604333 | -2.696339 |
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