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
10,447,000	6,148,536	C7B5	12	-93.020203	-0.663807
10,447,001	6,148,536	C7B5	12	-92.626623	-0.270226
10,447,002	6,150,465	C4B8	12	-85.373023	3.35031
10,447,003	6,150,465	C4B8	12	-85.147846	3.575488
10,447,004	6,150,465	C4B8	12	-85.332094	3.39124
10,447,005	6,150,465	C4B8	12	-85.157318	3.566016
10,447,006	6,150,465	C4B8	12	-84.992549	3.730784
10,447,007	6,150,465	C4B8	12	-84.847327	3.876007
10,447,008	6,150,465	C4B8	12	-84.623119	4.100215
10,447,009	6,150,465	C4B8	12	-84.302056	4.421277
10,447,010	6,150,465	C4B8	12	-83.614373	5.108961
10,447,011	6,150,465	C4B8	12	-79.181349	9.541985
10,447,012	6,148,544	C7B5	12	-94.068151	-1.711754
10,447,013	6,148,544	C7B5	12	-93.932952	-1.576556
10,447,014	6,148,544	C7B5	12	-93.801188	-1.444792
10,447,015	6,148,544	C7B5	12	-93.509756	-1.153359
10,447,016	6,148,544	C7B5	12	-92.92672	-0.570324
10,447,017	6,150,686	C4B8	12	-84.770699	3.952635
10,447,018	6,150,686	C4B8	12	-84.563083	4.160251
10,447,019	6,150,686	C4B8	12	-84.314545	4.408789
10,447,020	6,150,686	C4B8	12	-83.630721	5.092613
10,447,021	6,150,686	C4B8	12	-83.487176	5.236157
10,447,022	6,150,686	C4B8	12	-80.020691	8.702643
10,447,023	6,150,666	C4B8	12	-85.342609	3.380725
10,447,024	6,150,666	C4B8	12	-85.205256	3.518078
10,447,025	6,150,666	C4B8	12	-85.082512	3.640822
10,447,026	6,150,666	C4B8	12	-84.826243	3.897091
10,447,027	6,150,666	C4B8	12	-84.4696	4.253734
10,447,028	6,150,666	C4B8	12	-84.235573	4.487761
10,447,029	6,150,666	C4B8	12	-84.03684	4.686494
10,447,030	6,150,666	C4B8	12	-83.901632	4.821702
10,447,031	6,150,666	C4B8	12	-83.731868	4.991465
10,447,032	6,150,666	C4B8	12	-83.610775	5.112559
10,447,033	6,150,666	C4B8	12	-83.365716	5.357617
10,447,034	6,150,666	C4B8	12	-82.788912	5.934422
10,447,035	6,150,666	C4B8	12	-82.640771	6.082563
10,447,036	6,150,666	C4B8	12	-79.32594	9.397394
10,447,037	6,150,667	C4B8	12	-85.414969	3.308365
10,447,038	6,150,667	C4B8	12	-85.292781	3.430553
10,447,039	6,150,667	C4B8	12	-85.150593	3.572741
10,447,040	6,150,667	C4B8	12	-84.869002	3.854332
10,447,041	6,150,667	C4B8	12	-84.700189	4.023145
10,447,042	6,150,667	C4B8	12	-84.498105	4.225229
10,447,043	6,150,667	C4B8	12	-84.37094	4.352394
10,447,044	6,150,667	C4B8	12	-84.184668	4.538665
10,447,045	6,150,667	C4B8	12	-84.360694	4.36264
10,447,046	6,150,667	C4B8	12	-84.234755	4.488579
10,447,047	6,150,667	C4B8	12	-83.987421	4.735913
10,447,048	6,150,667	C4B8	12	-83.830629	4.892705
10,447,049	6,150,667	C4B8	12	-83.646925	5.076409
10,447,050	6,150,667	C4B8	12	-83.095329	5.628004
10,447,051	6,150,667	C4B8	12	-82.958544	5.76479
10,447,052	6,150,667	C4B8	12	-79.440993	9.282341
10,447,053	6,150,671	C4B8	12	-85.766836	2.956498
10,447,054	6,150,671	C4B8	12	-85.525443	3.197891
10,447,055	6,150,671	C4B8	12	-85.368214	3.35512
10,447,056	6,150,671	C4B8	12	-84.922771	3.800562
10,447,057	6,150,671	C4B8	12	-84.738815	3.984519
10,447,058	6,150,671	C4B8	12	-83.861963	4.861371
10,447,059	6,150,671	C4B8	12	-83.564107	5.159226
10,447,060	6,150,671	C4B8	12	-83.101414	5.62192
10,447,061	6,150,671	C4B8	12	-82.470589	6.252745
10,447,062	6,150,671	C4B8	12	-81.926581	6.796753
10,447,063	6,150,671	C4B8	12	-81.721769	7.001565
10,447,064	6,150,671	C4B8	12	-81.043371	7.679962
10,447,065	6,150,671	C4B8	12	-80.892487	7.830847
10,447,066	6,150,671	C4B8	12	-78.105473	10.61786
10,447,067	6,150,673	C4B8	12	-85.391774	3.331559
10,447,068	6,150,673	C4B8	12	-85.26301	3.460324
10,447,069	6,150,673	C4B8	12	-85.135347	3.587987
10,447,070	6,150,673	C4B8	12	-84.9825	3.740834
10,447,071	6,150,673	C4B8	12	-84.84719	3.876144
10,447,072	6,150,673	C4B8	12	-84.555359	4.167975
10,447,073	6,150,673	C4B8	12	-84.191897	4.531437
10,447,074	6,150,673	C4B8	12	-83.741382	4.981952
10,447,075	6,150,673	C4B8	12	-82.97283	5.750504
10,447,076	6,150,673	C4B8	12	-79.356479	9.366854
10,447,077	6,150,674	C4B8	12	-85.376999	3.346335
10,447,078	6,150,674	C4B8	12	-85.238397	3.484937
10,447,079	6,150,674	C4B8	12	-85.077624	3.645709
10,447,080	6,150,674	C4B8	12	-84.946343	3.776991
10,447,081	6,150,674	C4B8	12	-84.825188	3.898146
10,447,082	6,150,674	C4B8	12	-84.663701	4.059633
10,447,083	6,150,674	C4B8	12	-84.49639	4.226944
10,447,084	6,150,674	C4B8	12	-84.319494	4.40384
10,447,085	6,150,674	C4B8	12	-84.048521	4.674813
10,447,086	6,150,674	C4B8	12	-83.728005	4.995329
10,447,087	6,150,674	C4B8	12	-83.084914	5.63842
10,447,088	6,150,674	C4B8	12	-79.377786	9.345547
10,447,089	6,150,689	C4B8	12	-85.406272	3.317061
10,447,090	6,150,689	C4B8	12	-85.13251	3.590824
10,447,091	6,150,689	C4B8	12	-84.42569	4.297644
10,447,092	6,150,689	C4B8	12	-79.967699	8.755635
10,447,093	6,150,690	C4B8	12	-85.602748	3.120586
10,447,094	6,150,690	C4B8	12	-85.443771	3.279563
10,447,095	6,150,690	C4B8	12	-85.171073	3.552261
10,447,096	6,150,690	C4B8	12	-84.351618	4.371715
10,447,097	6,150,690	C4B8	12	-79.990375	8.732958
10,447,098	6,148,546	C7B5	12	-93.838793	-1.482397
10,447,099	6,148,546	C7B5	12	-93.664548	-1.308152

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