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
10,446,200	6,150,211	C3B9	12	-81.418769	6.093544
10,446,201	6,150,211	C3B9	12	-81.296837	6.215475
10,446,202	6,150,211	C3B9	12	-81.154612	6.3577
10,446,203	6,150,211	C3B9	12	-81.012883	6.49943
10,446,204	6,150,211	C3B9	12	-80.822122	6.690191
10,446,205	6,150,211	C3B9	12	-80.604888	6.907425
10,446,206	6,150,211	C3B9	12	-80.429198	7.083114
10,446,207	6,150,211	C3B9	12	-80.2058	7.306513
10,446,208	6,150,211	C3B9	12	-80.06828	7.444033
10,446,209	6,150,211	C3B9	12	-79.556155	7.956158
10,446,210	6,150,211	C3B9	12	-76.641454	10.870858
10,446,211	6,150,468	C3B9	12	-82.663818	4.848495
10,446,212	6,150,468	C3B9	12	-82.513004	4.999308
10,446,213	6,150,468	C3B9	12	-82.330566	5.181747
10,446,214	6,150,468	C3B9	12	-82.094884	5.417429
10,446,215	6,150,468	C3B9	12	-81.892943	5.619369
10,446,216	6,150,468	C3B9	12	-81.769257	5.743056
10,446,217	6,150,468	C3B9	12	-81.482476	6.029837
10,446,218	6,150,468	C3B9	12	-81.674239	5.838073
10,446,219	6,150,468	C3B9	12	-81.545139	5.967174
10,446,220	6,150,468	C3B9	12	-81.402472	6.109841
10,446,221	6,150,468	C3B9	12	-81.263117	6.249196
10,446,222	6,150,468	C3B9	12	-81.100427	6.411886
10,446,223	6,150,468	C3B9	12	-80.868413	6.6439
10,446,224	6,150,468	C3B9	12	-80.64994	6.862373
10,446,225	6,150,468	C3B9	12	-80.398407	7.113906
10,446,226	6,150,468	C3B9	12	-80.11812	7.394193
10,446,227	6,150,468	C3B9	12	-79.55373	7.958583
10,446,228	6,150,468	C3B9	12	-76.581948	10.930365
10,446,229	6,150,472	C3B9	12	-83.356047	4.156265
10,446,230	6,150,472	C3B9	12	-83.198173	4.31414
10,446,231	6,150,472	C3B9	12	-83.455442	4.056871
10,446,232	6,150,472	C3B9	12	-83.329493	4.18282
10,446,233	6,150,472	C3B9	12	-83.182916	4.329397
10,446,234	6,150,472	C3B9	12	-83.048667	4.463646
10,446,235	6,150,472	C3B9	12	-82.868349	4.643963
10,446,236	6,150,472	C3B9	12	-82.737715	4.774598
10,446,237	6,150,472	C3B9	12	-82.590357	4.921955
10,446,238	6,150,472	C3B9	12	-82.055148	5.457165
10,446,239	6,150,472	C3B9	12	-82.569748	4.942565
10,446,240	6,150,472	C3B9	12	-82.449525	5.062788
10,446,241	6,150,472	C3B9	12	-82.312978	5.199335
10,446,242	6,150,472	C3B9	12	-82.187103	5.32521
10,446,243	6,150,472	C3B9	12	-81.930068	5.582244
10,446,244	6,150,472	C3B9	12	-81.399933	6.112379
10,446,245	6,150,472	C3B9	12	-80.671602	6.840711
10,446,246	6,150,472	C3B9	12	-76.993845	10.518468
10,446,247	6,150,676	C3B9	12	-82.855317	4.656996
10,446,248	6,150,676	C3B9	12	-82.690082	4.822231
10,446,249	6,150,676	C3B9	12	-82.513923	4.99839
10,446,250	6,150,676	C3B9	12	-82.377284	5.135028
10,446,251	6,150,676	C3B9	12	-82.065338	5.446975
10,446,252	6,150,676	C3B9	12	-80.696222	6.816091
10,446,253	6,150,676	C3B9	12	-81.871996	5.640317
10,446,254	6,150,676	C3B9	12	-81.03097	6.481343
10,446,255	6,150,676	C3B9	12	-80.573809	6.938503
10,446,256	6,150,676	C3B9	12	-79.534419	7.977894
10,446,257	6,150,676	C3B9	12	-80.42746	7.084852
10,446,258	6,150,676	C3B9	12	-79.99573	7.516583
10,446,259	6,150,676	C3B9	12	-79.813593	7.698719
10,446,260	6,150,676	C3B9	12	-79.360494	8.151819
10,446,261	6,150,676	C3B9	12	-78.84167	8.670643
10,446,262	6,150,676	C3B9	12	-76.560781	10.951532
10,446,263	6,150,678	C3B9	12	-82.935844	4.576469
10,446,264	6,150,678	C3B9	12	-82.815744	4.696569
10,446,265	6,150,678	C3B9	12	-82.451792	5.060521
10,446,266	6,150,678	C3B9	12	-82.127195	5.385118
10,446,267	6,150,678	C3B9	12	-81.176079	6.336234
10,446,268	6,150,678	C3B9	12	-81.938092	5.574221
10,446,269	6,150,678	C3B9	12	-81.016101	6.496212
10,446,270	6,150,678	C3B9	12	-80.462021	7.050292
10,446,271	6,150,678	C3B9	12	-79.970307	7.542006
10,446,272	6,150,678	C3B9	12	-80.345134	7.167179
10,446,273	6,150,678	C3B9	12	-79.880569	7.631744
10,446,274	6,150,678	C3B9	12	-79.723078	7.789234
10,446,275	6,150,678	C3B9	12	-79.492146	8.020167
10,446,276	6,150,678	C3B9	12	-79.64541	7.866902
10,446,277	6,150,678	C3B9	12	-79.347407	8.164906
10,446,278	6,150,678	C3B9	12	-78.716607	8.795706
10,446,279	6,150,678	C3B9	12	-78.54543	8.966883
10,446,280	6,150,678	C3B9	12	-77.9808	9.531512
10,446,281	6,150,678	C3B9	12	-75.815483	11.69683
10,446,282	6,150,691	C3B9	12	-81.959459	5.552854
10,446,283	6,150,691	C3B9	12	-81.8183	5.694012
10,446,284	6,150,691	C3B9	12	-81.52995	5.982363
10,446,285	6,150,691	C3B9	12	-80.83013	6.682183
10,446,286	6,150,691	C3B9	12	-77.09465	10.417663
10,446,287	6,150,692	C3B9	12	-82.677138	4.835174
10,446,288	6,150,692	C3B9	12	-82.993665	4.518648
10,446,289	6,150,692	C3B9	12	-82.762989	4.749323
10,446,290	6,150,692	C3B9	12	-82.561113	4.9512
10,446,291	6,150,692	C3B9	12	-82.420753	5.09156
10,446,292	6,150,692	C3B9	12	-82.2854	5.226913
10,446,293	6,150,692	C3B9	12	-82.141207	5.371105
10,446,294	6,150,692	C3B9	12	-81.937708	5.574605
10,446,295	6,150,692	C3B9	12	-81.786345	5.725968
10,446,296	6,150,692	C3B9	12	-81.438367	6.073945
10,446,297	6,150,692	C3B9	12	-81.286521	6.225792
10,446,298	6,150,692	C3B9	12	-81.140892	6.371421
10,446,299	6,150,692	C3B9	12	-81.019327	6.492986

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