Split (2)

train · 10.4M rows

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
10,444,200	6,150,084	C4B8	12	-84.20612	4.517213
10,444,201	6,150,084	C4B8	12	-83.965947	4.757387
10,444,202	6,150,084	C4B8	12	-83.84576	4.877574
10,444,203	6,150,084	C4B8	12	-83.455448	5.267886
10,444,204	6,150,084	C4B8	12	-83.080867	5.642467
10,444,205	6,150,084	C4B8	12	-82.133452	6.589881
10,444,206	6,150,084	C4B8	12	-78.591435	10.131899
10,444,207	6,150,102	C4B8	12	-85.567915	3.155419
10,444,208	6,150,102	C4B8	12	-85.434611	3.288723
10,444,209	6,150,102	C4B8	12	-85.305515	3.417819
10,444,210	6,150,102	C4B8	12	-85.139531	3.583803
10,444,211	6,150,102	C4B8	12	-84.98319	3.740144
10,444,212	6,150,102	C4B8	12	-84.82985	3.893484
10,444,213	6,150,102	C4B8	12	-84.679412	4.043921
10,444,214	6,150,102	C4B8	12	-84.506839	4.216495
10,444,215	6,150,102	C4B8	12	-84.208787	4.514546
10,444,216	6,150,102	C4B8	12	-83.944726	4.778607
10,444,217	6,150,102	C4B8	12	-83.743498	4.979836
10,444,218	6,150,102	C4B8	12	-83.520967	5.202367
10,444,219	6,150,102	C4B8	12	-83.278111	5.445222
10,444,220	6,150,102	C4B8	12	-82.914661	5.808672
10,444,221	6,150,102	C4B8	12	-82.148009	6.575325
10,444,222	6,150,102	C4B8	12	-82.014395	6.708939
10,444,223	6,150,102	C4B8	12	-78.965839	9.757495
10,444,224	6,150,113	C4B8	12	-85.070542	3.652792
10,444,225	6,150,113	C4B8	12	-84.947832	3.775501
10,444,226	6,150,113	C4B8	12	-84.809133	3.9142
10,444,227	6,150,113	C4B8	12	-84.684997	4.038337
10,444,228	6,150,113	C4B8	12	-84.555593	4.167741
10,444,229	6,150,113	C4B8	12	-84.433295	4.290039
10,444,230	6,150,113	C4B8	12	-84.300218	4.423116
10,444,231	6,150,113	C4B8	12	-84.128761	4.594572
10,444,232	6,150,113	C4B8	12	-84.007484	4.71585
10,444,233	6,150,113	C4B8	12	-83.878899	4.844435
10,444,234	6,150,113	C4B8	12	-83.712322	5.011012
10,444,235	6,150,113	C4B8	12	-83.556595	5.166739
10,444,236	6,150,113	C4B8	12	-83.414426	5.308907
10,444,237	6,150,113	C4B8	12	-83.248164	5.475169
10,444,238	6,150,113	C4B8	12	-83.06791	5.655424
10,444,239	6,150,113	C4B8	12	-82.423195	6.300139
10,444,240	6,150,113	C4B8	12	-78.885802	9.837532
10,444,241	6,150,125	C4B8	12	-84.687405	4.035929
10,444,242	6,150,125	C4B8	12	-84.564075	4.159259
10,444,243	6,150,125	C4B8	12	-84.436198	4.287135
10,444,244	6,150,125	C4B8	12	-84.309443	4.413891
10,444,245	6,150,125	C4B8	12	-84.18541	4.537924
10,444,246	6,150,125	C4B8	12	-84.049864	4.673469
10,444,247	6,150,125	C4B8	12	-83.796369	4.926965
10,444,248	6,150,125	C4B8	12	-83.21229	5.511043
10,444,249	6,150,125	C4B8	12	-83.085133	5.6382
10,444,250	6,150,125	C4B8	12	-79.503136	9.220198
10,444,251	6,150,127	C4B8	12	-85.198276	3.525058
10,444,252	6,150,127	C4B8	12	-84.95347	3.769864
10,444,253	6,150,127	C4B8	12	-85.098213	3.62512
10,444,254	6,150,127	C4B8	12	-84.917013	3.806321
10,444,255	6,150,127	C4B8	12	-84.793398	3.929936
10,444,256	6,150,127	C4B8	12	-84.602984	4.12035
10,444,257	6,150,127	C4B8	12	-84.427936	4.295398
10,444,258	6,150,127	C4B8	12	-84.2434	4.479933
10,444,259	6,150,127	C4B8	12	-82.752571	5.970763
10,444,260	6,150,127	C4B8	12	-84.153482	4.569852
10,444,261	6,150,127	C4B8	12	-83.818439	4.904895
10,444,262	6,150,127	C4B8	12	-83.692964	5.03037
10,444,263	6,150,127	C4B8	12	-83.556175	5.167159
10,444,264	6,150,127	C4B8	12	-83.41334	5.309993
10,444,265	6,150,127	C4B8	12	-83.283124	5.440209
10,444,266	6,150,127	C4B8	12	-83.04396	5.679374
10,444,267	6,150,127	C4B8	12	-82.416922	6.306412
10,444,268	6,150,127	C4B8	12	-78.837373	9.885961
10,444,269	6,150,128	C4B8	12	-86.555067	2.168266
10,444,270	6,150,128	C4B8	12	-86.366636	2.356698
10,444,271	6,150,128	C4B8	12	-86.109655	2.613679
10,444,272	6,150,128	C4B8	12	-85.710598	3.012735
10,444,273	6,150,128	C4B8	12	-85.395585	3.327749
10,444,274	6,150,128	C4B8	12	-84.993108	3.730226
10,444,275	6,150,128	C4B8	12	-85.345936	3.377398
10,444,276	6,150,128	C4B8	12	-84.985698	3.737635
10,444,277	6,150,128	C4B8	12	-84.819695	3.903638
10,444,278	6,150,128	C4B8	12	-84.687083	4.036251
10,444,279	6,150,128	C4B8	12	-84.507909	4.215425
10,444,280	6,150,128	C4B8	12	-84.27633	4.447004
10,444,281	6,150,128	C4B8	12	-84.45116	4.272174
10,444,282	6,150,128	C4B8	12	-84.325081	4.398252
10,444,283	6,150,128	C4B8	12	-84.202326	4.521008
10,444,284	6,150,128	C4B8	12	-84.065982	4.657352
10,444,285	6,150,128	C4B8	12	-83.936654	4.786679
10,444,286	6,150,128	C4B8	12	-83.719607	5.003727
10,444,287	6,150,128	C4B8	12	-83.533837	5.189497
10,444,288	6,150,128	C4B8	12	-82.861022	5.862312
10,444,289	6,150,128	C4B8	12	-82.722796	6.000538
10,444,290	6,150,128	C4B8	12	-79.45078	9.272554
10,444,291	6,150,129	C4B8	12	-84.44096	4.282374
10,444,292	6,150,129	C4B8	12	-84.317406	4.405928
10,444,293	6,150,129	C4B8	12	-84.175023	4.548311
10,444,294	6,150,129	C4B8	12	-84.040056	4.683278
10,444,295	6,150,129	C4B8	12	-83.825208	4.898126
10,444,296	6,150,129	C4B8	12	-83.639804	5.08353
10,444,297	6,150,129	C4B8	12	-83.140561	5.582773
10,444,298	6,150,129	C4B8	12	-82.9901	5.733234
10,444,299	6,150,129	C4B8	12	-79.407909	9.315425

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