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
10,447,300	6,147,301	C6B4	10	-76.303125	0.862376
10,447,301	6,147,301	C6B4	10	-71.975221	5.190279
10,447,302	6,147,303	C6B4	10	-78.346149	-1.180648
10,447,303	6,147,303	C6B4	10	-78.202573	-1.037072
10,447,304	6,147,303	C6B4	10	-78.051438	-0.885938
10,447,305	6,147,303	C6B4	10	-77.671282	-0.505781
10,447,306	6,147,303	C6B4	10	-76.630952	0.534549
10,447,307	6,147,303	C6B4	10	-72.358059	4.807442
10,447,308	6,147,304	C6B4	10	-78.778338	-1.612837
10,447,309	6,147,304	C6B4	10	-78.54754	-1.382039
10,447,310	6,147,304	C6B4	10	-78.385629	-1.220129
10,447,311	6,147,304	C6B4	10	-78.27394	-1.10844
10,447,312	6,147,304	C6B4	10	-77.856576	-0.691076
10,447,313	6,147,304	C6B4	10	-78.246679	-1.081179
10,447,314	6,147,304	C6B4	10	-78.077694	-0.912193
10,447,315	6,147,304	C6B4	10	-77.93508	-0.769579
10,447,316	6,147,304	C6B4	10	-77.744138	-0.578638
10,447,317	6,147,304	C6B4	10	-77.137303	0.028198
10,447,318	6,147,304	C6B4	10	-76.241717	0.923783
10,447,319	6,147,304	C6B4	10	-71.576157	5.589343
10,447,320	6,147,306	C6B4	10	-78.378502	-1.213002
10,447,321	6,147,306	C6B4	10	-78.155506	-0.990005
10,447,322	6,147,306	C6B4	10	-77.721104	-0.555603
10,447,323	6,147,306	C6B4	10	-76.732874	0.432627
10,447,324	6,147,306	C6B4	10	-72.359243	4.806258
10,447,325	6,147,314	C6B4	10	-77.059887	0.105614
10,447,326	6,147,314	C6B4	10	-76.864977	0.300523
10,447,327	6,147,314	C6B4	10	-75.84159	1.323911
10,447,328	6,147,314	C6B4	10	-71.554228	5.611273
10,447,329	6,147,316	C6B4	10	-77.848278	-0.682778
10,447,330	6,147,316	C6B4	10	-76.484124	0.681376
10,447,331	6,147,316	C6B4	10	-73.10025	4.065251
10,447,332	6,147,442	C6B4	10	-78.742378	-1.576877
10,447,333	6,147,442	C6B4	10	-78.163984	-0.998483
10,447,334	6,147,442	C6B4	10	-77.75706	-0.591559
10,447,335	6,147,442	C6B4	10	-76.96925	0.19625
10,447,336	6,147,442	C6B4	10	-76.010969	1.154531
10,447,337	6,147,442	C6B4	10	-71.70336	5.462141
10,447,338	6,147,356	C6B4	10	-78.475011	-1.309511
10,447,339	6,147,356	C6B4	10	-78.363728	-1.198227
10,447,340	6,147,356	C6B4	10	-78.046625	-0.881125
10,447,341	6,147,356	C6B4	10	-77.363392	-0.197891
10,447,342	6,147,356	C6B4	10	-76.397685	0.767816
10,447,343	6,147,356	C6B4	10	-72.019188	5.146313
10,447,344	6,147,448	C6B4	10	-78.671388	-1.505887
10,447,345	6,147,448	C6B4	10	-78.487662	-1.322161
10,447,346	6,147,448	C6B4	10	-78.387009	-1.221509
10,447,347	6,147,448	C6B4	10	-78.239662	-1.074162
10,447,348	6,147,448	C6B4	10	-77.996937	-0.831437
10,447,349	6,147,448	C6B4	10	-77.446313	-0.280813
10,447,350	6,147,448	C6B4	10	-76.549912	0.615588
10,447,351	6,147,448	C6B4	10	-71.583798	5.581702
10,447,352	6,149,407	C9B3	12	-99.78971	-5.011271
10,447,353	6,149,407	C9B3	12	-99.78971	-5.011271
10,447,354	6,149,424	C9B3	12	-99.324916	-4.546478
10,447,355	6,149,424	C9B3	12	-99.12629	-4.347851
10,447,356	6,149,424	C9B3	12	-98.979301	-4.200863
10,447,357	6,149,424	C9B3	12	-98.712202	-3.933764
10,447,358	6,149,424	C9B3	12	-98.46862	-3.690182
10,447,359	6,149,427	C9B3	12	-99.465122	-4.686683
10,447,360	6,149,427	C9B3	12	-99.33074	-4.552302
10,447,361	6,149,427	C9B3	12	-99.205135	-4.426697
10,447,362	6,149,427	C9B3	12	-99.026	-4.247562
10,447,363	6,149,427	C9B3	12	-98.891085	-4.112646
10,447,364	6,149,427	C9B3	12	-98.819923	-4.041485
10,447,365	6,149,443	C9B3	12	-99.959263	-5.180825
10,447,366	6,149,443	C9B3	12	-99.828533	-5.050095
10,447,367	6,149,443	C9B3	12	-99.56232	-4.783882
10,447,368	6,149,443	C9B3	12	-99.222431	-4.443993
10,447,369	6,149,518	C9B3	12	-99.44127	-4.662832
10,447,370	6,149,518	C9B3	12	-99.377816	-4.599378
10,447,371	6,149,814	C9B3	12	-99.878009	-5.099571
10,447,372	6,149,814	C9B3	12	-99.748065	-4.969626
10,447,373	6,149,814	C9B3	12	-99.618565	-4.840127
10,447,374	6,149,814	C9B3	12	-99.43783	-4.659392
10,447,375	6,149,814	C9B3	12	-99.289343	-4.510905
10,447,376	6,149,814	C9B3	12	-99.100903	-4.322465
10,447,377	6,149,814	C9B3	12	-99.038924	-4.260485
10,447,378	6,149,816	C9B3	12	-99.330593	-4.552155
10,447,379	6,149,816	C9B3	12	-99.185286	-4.406848
10,447,380	6,149,816	C9B3	12	-98.958196	-4.179757
10,447,381	6,149,816	C9B3	12	-98.746803	-3.968364
10,447,382	6,149,817	C9B3	12	-99.366539	-4.588101
10,447,383	6,149,817	C9B3	12	-99.180372	-4.401933
10,447,384	6,149,818	C9B3	12	-99.829614	-5.051175
10,447,385	6,149,818	C9B3	12	-99.610474	-4.832036
10,447,386	6,149,818	C9B3	12	-99.236164	-4.457726
10,447,387	6,149,821	C9B3	12	-98.908953	-4.130514
10,447,388	6,149,821	C9B3	12	-98.762014	-3.983575
10,447,389	6,149,821	C9B3	12	-98.584876	-3.806437
10,447,390	6,149,826	C9B3	12	-99.128632	-4.350194
10,447,391	6,149,826	C9B3	12	-99.005861	-4.227423
10,447,392	6,149,826	C9B3	12	-98.826083	-4.047645
10,447,393	6,149,827	C9B3	12	-99.469115	-4.690677
10,447,394	6,149,827	C9B3	12	-99.469115	-4.690677
10,447,395	6,149,836	C9B3	12	-99.034418	-4.255979
10,447,396	6,149,836	C9B3	12	-98.912657	-4.134219
10,447,397	6,149,836	C9B3	12	-98.771561	-3.993123
10,447,398	6,149,837	C9B3	12	-99.362858	-4.58442
10,447,399	6,149,837	C9B3	12	-99.1619	-4.383461

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