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
10,447,200	6,147,168	C6B4	10	-78.794311	-1.628811
10,447,201	6,147,168	C6B4	10	-78.242129	-1.076629
10,447,202	6,147,168	C6B4	10	-77.849674	-0.684173
10,447,203	6,147,168	C6B4	10	-77.562586	-0.397086
10,447,204	6,147,168	C6B4	10	-76.858358	0.307143
10,447,205	6,147,168	C6B4	10	-75.94247	1.223031
10,447,206	6,147,168	C6B4	10	-71.232307	5.933193
10,447,207	6,147,174	C6B4	10	-78.897701	-1.7322
10,447,208	6,147,174	C6B4	10	-78.737055	-1.571555
10,447,209	6,147,174	C6B4	10	-78.59712	-1.431619
10,447,210	6,147,174	C6B4	10	-78.466958	-1.301458
10,447,211	6,147,174	C6B4	10	-78.315188	-1.149688
10,447,212	6,147,174	C6B4	10	-78.181432	-1.015932
10,447,213	6,147,174	C6B4	10	-77.723157	-0.557656
10,447,214	6,147,174	C6B4	10	-76.657521	0.507979
10,447,215	6,147,174	C6B4	10	-72.282282	4.883219
10,447,216	6,147,177	C6B4	10	-78.430162	-1.264661
10,447,217	6,147,177	C6B4	10	-78.26222	-1.096719
10,447,218	6,147,177	C6B4	10	-78.058347	-0.892846
10,447,219	6,147,177	C6B4	10	-77.786819	-0.621318
10,447,220	6,147,177	C6B4	10	-77.088778	0.076722
10,447,221	6,147,177	C6B4	10	-76.206501	0.959
10,447,222	6,147,177	C6B4	10	-71.641437	5.524064
10,447,223	6,147,178	C6B4	10	-78.663557	-1.498056
10,447,224	6,147,178	C6B4	10	-78.503384	-1.337883
10,447,225	6,147,178	C6B4	10	-78.275999	-1.110498
10,447,226	6,147,178	C6B4	10	-77.972341	-0.80684
10,447,227	6,147,178	C6B4	10	-77.677332	-0.511831
10,447,228	6,147,178	C6B4	10	-77.012919	0.152581
10,447,229	6,147,178	C6B4	10	-76.110606	1.054895
10,447,230	6,147,178	C6B4	10	-71.659239	5.506261
10,447,231	6,148,595	C7B5	12	-92.909476	-0.55308
10,447,232	6,148,595	C7B5	12	-92.784524	-0.428128
10,447,233	6,148,595	C7B5	12	-92.608656	-0.25226
10,447,234	6,148,595	C7B5	12	-92.160028	0.196369
10,447,235	6,148,595	C7B5	12	-91.407891	0.948506
10,447,236	6,148,599	C7B5	12	-93.182219	-0.825822
10,447,237	6,148,599	C7B5	12	-92.829118	-0.472721
10,447,238	6,147,186	C6B4	10	-78.806866	-1.641366
10,447,239	6,147,186	C6B4	10	-78.635011	-1.46951
10,447,240	6,147,186	C6B4	10	-78.424198	-1.258697
10,447,241	6,147,186	C6B4	10	-78.284764	-1.119264
10,447,242	6,147,186	C6B4	10	-78.172005	-1.006504
10,447,243	6,147,186	C6B4	10	-77.999021	-0.83352
10,447,244	6,147,186	C6B4	10	-77.873522	-0.708022
10,447,245	6,147,186	C6B4	10	-77.736465	-0.570964
10,447,246	6,147,186	C6B4	10	-77.33245	-0.16695
10,447,247	6,147,186	C6B4	10	-76.294737	0.870763
10,447,248	6,147,186	C6B4	10	-72.032732	5.132769
10,447,249	6,148,613	C7B5	12	-92.699049	-0.342653
10,447,250	6,148,613	C7B5	12	-92.576008	-0.219611
10,447,251	6,148,613	C7B5	12	-92.407616	-0.05122
10,447,252	6,148,613	C7B5	12	-92.142213	0.214184
10,447,253	6,148,615	C7B5	12	-93.819986	-1.46359
10,447,254	6,148,615	C7B5	12	-93.613306	-1.256909
10,447,255	6,148,615	C7B5	12	-93.120739	-0.764343
10,447,256	6,148,616	C7B5	12	-93.379461	-1.023065
10,447,257	6,148,616	C7B5	12	-93.234278	-0.877881
10,447,258	6,148,616	C7B5	12	-93.088989	-0.732592
10,447,259	6,148,616	C7B5	12	-92.956656	-0.600259
10,447,260	6,148,616	C7B5	12	-92.804723	-0.448326
10,447,261	6,148,616	C7B5	12	-92.631926	-0.27553
10,447,262	6,148,616	C7B5	12	-92.324142	0.032255
10,447,263	4,466,007	Ga4K4	8	-10.864523	8.105261
10,447,264	4,466,007	Ga4K4	8	-10.865447	8.104337
10,447,265	6,147,198	C6B4	10	-78.539239	-1.373739
10,447,266	6,147,198	C6B4	10	-78.421369	-1.255869
10,447,267	6,147,198	C6B4	10	-78.306398	-1.140897
10,447,268	6,147,198	C6B4	10	-78.192856	-1.027356
10,447,269	6,147,198	C6B4	10	-78.081397	-0.915897
10,447,270	6,147,198	C6B4	10	-77.952017	-0.786517
10,447,271	6,147,198	C6B4	10	-77.529421	-0.363921
10,447,272	6,147,198	C6B4	10	-76.523694	0.641807
10,447,273	6,147,198	C6B4	10	-72.082045	5.083455
10,447,274	6,148,741	C7B5	12	-93.407195	-1.050798
10,447,275	6,148,741	C7B5	12	-93.199486	-0.843089
10,447,276	6,148,741	C7B5	12	-92.959837	-0.603441
10,447,277	6,148,752	C7B5	12	-93.074528	-0.718132
10,447,278	6,148,752	C7B5	12	-92.808888	-0.452492
10,447,279	6,148,752	C7B5	12	-92.515165	-0.158769
10,447,280	6,147,207	C6B4	10	-78.343269	-1.177769
10,447,281	6,147,207	C6B4	10	-78.241265	-1.075765
10,447,282	6,147,207	C6B4	10	-78.045303	-0.879803
10,447,283	6,147,207	C6B4	10	-77.518581	-0.35308
10,447,284	6,147,207	C6B4	10	-76.55119	0.614311
10,447,285	6,147,207	C6B4	10	-72.059557	5.105944
10,447,286	6,148,762	C7B5	12	-93.436606	-1.080209
10,447,287	6,148,762	C7B5	12	-93.283025	-0.926629
10,447,288	6,148,762	C7B5	12	-93.245742	-0.889346
10,447,289	6,147,216	C6B4	10	-77.890134	-0.724633
10,447,290	6,147,216	C6B4	10	-77.756686	-0.591186
10,447,291	6,147,216	C6B4	10	-77.311337	-0.145837
10,447,292	6,147,216	C6B4	10	-76.404203	0.761298
10,447,293	6,147,216	C6B4	10	-71.739046	5.426454
10,447,294	6,147,301	C6B4	10	-78.311506	-1.146006
10,447,295	6,147,301	C6B4	10	-78.201748	-1.036248
10,447,296	6,147,301	C6B4	10	-78.038126	-0.872626
10,447,297	6,147,301	C6B4	10	-77.932491	-0.76699
10,447,298	6,147,301	C6B4	10	-77.776787	-0.611287
10,447,299	6,147,301	C6B4	10	-77.287982	-0.122481

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