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 |
|---|---|---|---|---|---|
300 | 3,287,403 | Ag6In4 | 10 | -27.553646 | -2.645652 |
301 | 3,295,756 | Hg2Zr | 3 | -8.536217 | 0.460251 |
302 | 3,295,756 | Hg2Zr | 3 | -8.661769 | 0.334699 |
303 | 3,295,756 | Hg2Zr | 3 | -8.50986 | 0.486608 |
304 | 3,295,756 | Hg2Zr | 3 | -8.602844 | 0.393624 |
305 | 3,295,756 | Hg2Zr | 3 | -6.479678 | 2.51679 |
306 | 3,295,756 | Hg2Zr | 3 | -4.228048 | 4.76842 |
307 | 3,295,756 | Hg2Zr | 3 | -5.670221 | 3.326247 |
308 | 3,295,756 | Hg2Zr | 3 | -3.880359 | 5.116109 |
309 | 3,295,756 | Hg2Zr | 3 | -3.516047 | 5.480421 |
310 | 3,291,749 | Sc8Zr3 | 11 | -69.579624 | 9.264483 |
311 | 3,291,749 | Sc8Zr3 | 11 | -69.46523 | 9.378877 |
312 | 3,298,397 | Cd4Zr | 5 | -12.495208 | -0.427635 |
313 | 3,298,397 | Cd4Zr | 5 | -12.479811 | -0.412239 |
314 | 3,298,476 | Zn16Zr4 | 20 | -55.964956 | 0.11568 |
315 | 3,298,476 | Zn16Zr4 | 20 | -55.939927 | 0.140708 |
316 | 3,290,385 | Sc3Zr5 | 8 | -61.785604 | 1.995457 |
317 | 3,290,385 | Sc3Zr5 | 8 | -61.778396 | 2.002665 |
318 | 3,298,203 | Ga2Zr8 | 10 | -75.93467 | 1.299144 |
319 | 3,298,203 | Ga2Zr8 | 10 | -75.932921 | 1.300894 |
320 | 3,290,847 | In3Pd5 | 8 | -38.311504 | -2.384594 |
321 | 3,290,847 | In3Pd5 | 8 | -38.303906 | -2.376996 |
322 | 3,294,201 | PbTh | 2 | -11.698595 | -0.460702 |
323 | 3,294,201 | PbTh | 2 | -11.698991 | -0.461098 |
324 | 3,287,795 | Rh6Zr4 | 10 | -83.861843 | -2.218292 |
325 | 3,287,795 | Rh6Zr4 | 10 | -83.854171 | -2.21062 |
326 | 3,299,168 | Pd5Zr | 6 | -37.91707 | -1.383733 |
327 | 3,299,168 | Pd5Zr | 6 | -37.917256 | -1.383919 |
328 | 3,295,139 | In2Pd4 | 6 | -27.841342 | -0.196231 |
329 | 3,295,139 | In2Pd4 | 6 | -27.833357 | -0.188246 |
330 | 3,289,429 | Ag3I4 | 7 | -16.043513 | 0.308552 |
331 | 3,289,429 | Ag3I4 | 7 | -16.024967 | 0.327098 |
332 | 3,298,333 | Ni16Zr4 | 20 | -130.027184 | -3.760664 |
333 | 3,298,333 | Ni16Zr4 | 20 | -129.536361 | -3.269842 |
334 | 3,298,333 | Ni16Zr4 | 20 | -129.563726 | -3.297206 |
335 | 3,288,392 | Ag10Au4 | 14 | -41.927102 | -5.538903 |
336 | 3,288,392 | Ag10Au4 | 14 | -41.893791 | -5.505591 |
337 | 3,292,488 | In4Pb5 | 9 | -29.145279 | -0.426078 |
338 | 3,292,488 | In4Pb5 | 9 | -29.132047 | -0.412846 |
339 | 3,292,702 | Ge5Zr6 | 11 | -80.864998 | -2.600862 |
340 | 3,292,702 | Ge5Zr6 | 11 | -80.864908 | -2.600772 |
341 | 3,289,460 | Ag3Sn4 | 7 | -24.375212 | -1.062301 |
342 | 3,289,460 | Ag3Sn4 | 7 | -24.367535 | -1.054624 |
343 | 3,297,960 | Zn2Zr8 | 10 | -71.012215 | 2.219518 |
344 | 3,297,960 | Zn2Zr8 | 10 | -71.008651 | 2.223082 |
345 | 3,287,196 | In8Zr12 | 20 | -125.344275 | 2.538708 |
346 | 3,287,196 | In8Zr12 | 20 | -125.334664 | 2.54832 |
347 | 3,298,066 | Re2Zr8 | 10 | -91.048647 | 2.505377 |
348 | 3,298,066 | Re2Zr8 | 10 | -91.044278 | 2.509746 |
349 | 3,288,039 | Ni6Zr4 | 10 | -72.79613 | -3.3723 |
350 | 3,288,039 | Ni6Zr4 | 10 | -72.79623 | -3.372401 |
351 | 3,295,281 | Tc2V4 | 6 | -52.2445 | 2.610912 |
352 | 3,295,281 | Tc2V4 | 6 | -52.516611 | 2.338802 |
353 | 3,295,281 | Tc2V4 | 6 | -52.404591 | 2.450822 |
354 | 3,295,281 | Tc2V4 | 6 | -52.477217 | 2.378195 |
355 | 3,295,281 | Tc2V4 | 6 | -52.344712 | 2.5107 |
356 | 3,295,281 | Tc2V4 | 6 | -52.276025 | 2.579388 |
357 | 3,295,281 | Tc2V4 | 6 | -52.06769 | 2.787722 |
358 | 3,295,281 | Tc2V4 | 6 | -52.172293 | 2.68312 |
359 | 3,295,281 | Tc2V4 | 6 | -51.713005 | 3.142408 |
360 | 3,295,281 | Tc2V4 | 6 | -51.513592 | 3.341821 |
361 | 3,295,281 | Tc2V4 | 6 | -51.393099 | 3.462313 |
362 | 3,295,281 | Tc2V4 | 6 | -51.306573 | 3.54884 |
363 | 3,295,281 | Tc2V4 | 6 | -51.116172 | 3.739241 |
364 | 3,295,281 | Tc2V4 | 6 | -50.984575 | 3.870837 |
365 | 3,295,281 | Tc2V4 | 6 | -49.110767 | 5.744645 |
366 | 3,295,281 | Tc2V4 | 6 | -48.313686 | 6.541727 |
367 | 3,295,281 | Tc2V4 | 6 | -43.969151 | 10.886262 |
368 | 3,295,281 | Tc2V4 | 6 | -43.105936 | 11.749477 |
369 | 3,295,281 | Tc2V4 | 6 | -35.105796 | 19.749617 |
370 | 3,292,356 | Ga4V5 | 9 | -59.112144 | -1.759044 |
371 | 3,292,356 | Ga4V5 | 9 | -59.103215 | -1.750115 |
372 | 3,295,579 | In4Rh2 | 6 | -26.877925 | -0.471978 |
373 | 3,295,579 | In4Rh2 | 6 | -26.879173 | -0.473226 |
374 | 3,292,805 | In6Se5 | 11 | -37.760986 | 2.750559 |
375 | 3,292,805 | In6Se5 | 11 | -37.751515 | 2.76003 |
376 | 3,286,589 | V17Zr2 | 19 | -170.042551 | -2.245112 |
377 | 3,286,589 | V17Zr2 | 19 | -169.517303 | -1.719864 |
378 | 3,286,589 | V17Zr2 | 19 | -169.637384 | -1.839946 |
379 | 3,288,320 | Ag10Sn4 | 14 | -44.329694 | -4.748987 |
380 | 3,288,320 | Ag10Sn4 | 14 | -44.284687 | -4.70398 |
381 | 3,295,997 | Ta8Zr4 | 12 | -128.52356 | 0.608237 |
382 | 3,295,997 | Ta8Zr4 | 12 | -128.521383 | 0.610414 |
383 | 3,288,890 | Hg5Pb2 | 7 | -8.741772 | -1.222474 |
384 | 3,288,890 | Hg5Pb2 | 7 | -8.725462 | -1.206163 |
385 | 3,291,809 | Hg8In3 | 11 | -10.168027 | -1.277244 |
386 | 3,291,809 | Hg8In3 | 11 | -10.149625 | -1.258842 |
387 | 3,285,850 | Ni13V2 | 15 | -95.323223 | -3.764393 |
388 | 3,285,850 | Ni13V2 | 15 | -95.164763 | -3.605932 |
389 | 3,285,850 | Ni13V2 | 15 | -95.001289 | -3.442458 |
390 | 3,285,850 | Ni13V2 | 15 | -94.760046 | -3.201215 |
391 | 3,285,850 | Ni13V2 | 15 | -94.145251 | -2.58642 |
392 | 3,285,850 | Ni13V2 | 15 | -94.369503 | -2.810673 |
393 | 3,285,850 | Ni13V2 | 15 | -94.176016 | -2.617186 |
394 | 3,285,850 | Ni13V2 | 15 | -94.015985 | -2.457155 |
395 | 3,285,850 | Ni13V2 | 15 | -94.202127 | -2.643297 |
396 | 3,285,850 | Ni13V2 | 15 | -94.004917 | -2.446087 |
397 | 3,285,850 | Ni13V2 | 15 | -93.820973 | -2.262142 |
398 | 3,285,850 | Ni13V2 | 15 | -93.6498 | -2.09097 |
399 | 3,285,850 | Ni13V2 | 15 | -93.451756 | -1.892926 |
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