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
10,447,100	6,148,546	C7B5	12	-93.295114	-0.938718
10,447,101	6,148,547	C7B5	12	-94.160379	-1.803983
10,447,102	6,148,547	C7B5	12	-94.001307	-1.644911
10,447,103	6,148,547	C7B5	12	-93.853239	-1.496842
10,447,104	6,148,547	C7B5	12	-93.52778	-1.171384
10,447,105	6,147,043	C6B4	10	-78.560488	-1.394987
10,447,106	6,147,043	C6B4	10	-78.373957	-1.208456
10,447,107	6,147,043	C6B4	10	-77.862779	-0.697278
10,447,108	6,147,043	C6B4	10	-76.802107	0.363394
10,447,109	6,147,043	C6B4	10	-72.290729	4.874772
10,447,110	6,147,050	C6B4	10	-78.43969	-1.27419
10,447,111	6,147,050	C6B4	10	-78.323418	-1.157918
10,447,112	6,147,050	C6B4	10	-78.216971	-1.05147
10,447,113	6,147,050	C6B4	10	-77.884728	-0.719227
10,447,114	6,147,050	C6B4	10	-78.095809	-0.930309
10,447,115	6,147,050	C6B4	10	-77.947704	-0.782203
10,447,116	6,147,050	C6B4	10	-77.835101	-0.6696
10,447,117	6,147,050	C6B4	10	-77.428514	-0.263014
10,447,118	6,147,050	C6B4	10	-76.480605	0.684896
10,447,119	6,147,050	C6B4	10	-71.67707	5.488431
10,447,120	6,148,550	C7B5	12	-93.740082	-1.383685
10,447,121	6,148,550	C7B5	12	-93.581862	-1.225465
10,447,122	6,148,550	C7B5	12	-93.223989	-0.867593
10,447,123	6,148,551	C7B5	12	-93.911454	-1.555057
10,447,124	6,148,551	C7B5	12	-93.467262	-1.110865
10,447,125	6,148,553	C7B5	12	-94.438579	-2.082182
10,447,126	6,148,553	C7B5	12	-94.130999	-1.774602
10,447,127	6,148,553	C7B5	12	-93.588817	-1.23242
10,447,128	6,148,555	C7B5	12	-93.732734	-1.376338
10,447,129	6,148,555	C7B5	12	-93.456456	-1.100059
10,447,130	6,148,555	C7B5	12	-92.906644	-0.550247
10,447,131	6,148,560	C7B5	12	-93.390788	-1.034392
10,447,132	6,148,560	C7B5	12	-93.255408	-0.899011
10,447,133	6,148,560	C7B5	12	-93.070312	-0.713915
10,447,134	6,148,560	C7B5	12	-92.918517	-0.56212
10,447,135	6,148,560	C7B5	12	-92.594643	-0.238246
10,447,136	6,148,570	C7B5	12	-93.484795	-1.128399
10,447,137	6,148,570	C7B5	12	-93.363314	-1.006917
10,447,138	6,148,570	C7B5	12	-93.208455	-0.852058
10,447,139	6,148,570	C7B5	12	-92.863979	-0.507582
10,447,140	6,147,062	C6B4	10	-78.186928	-1.021428
10,447,141	6,147,062	C6B4	10	-77.900717	-0.735217
10,447,142	6,147,062	C6B4	10	-77.754028	-0.588527
10,447,143	6,147,062	C6B4	10	-77.435411	-0.26991
10,447,144	6,147,062	C6B4	10	-76.956466	0.209035
10,447,145	6,147,062	C6B4	10	-75.833736	1.331764
10,447,146	6,147,062	C6B4	10	-71.870497	5.295004
10,447,147	6,147,064	C6B4	10	-79.059721	-1.89422
10,447,148	6,147,064	C6B4	10	-78.942539	-1.777039
10,447,149	6,147,064	C6B4	10	-78.827783	-1.662283
10,447,150	6,147,064	C6B4	10	-78.657773	-1.492272
10,447,151	6,147,064	C6B4	10	-78.378678	-1.213177
10,447,152	6,147,064	C6B4	10	-77.672624	-0.507123
10,447,153	6,147,064	C6B4	10	-76.658377	0.507124
10,447,154	6,147,064	C6B4	10	-71.88544	5.280061
10,447,155	6,148,574	C7B5	12	-93.756628	-1.400232
10,447,156	6,148,574	C7B5	12	-93.604323	-1.247927
10,447,157	6,148,574	C7B5	12	-93.25548	-0.899083
10,447,158	6,148,580	C7B5	12	-93.646597	-1.2902
10,447,159	6,148,580	C7B5	12	-93.449151	-1.092755
10,447,160	6,148,580	C7B5	12	-93.142357	-0.78596
10,447,161	6,148,581	C7B5	12	-93.215284	-0.858887
10,447,162	6,148,581	C7B5	12	-93.070589	-0.714192
10,447,163	6,148,581	C7B5	12	-92.919208	-0.562812
10,447,164	6,148,581	C7B5	12	-92.74643	-0.390033
10,447,165	6,147,078	C6B4	10	-77.370077	-0.204576
10,447,166	6,147,078	C6B4	10	-77.023761	0.141739
10,447,167	6,147,078	C6B4	10	-77.291404	-0.125904
10,447,168	6,147,078	C6B4	10	-77.168458	-0.002957
10,447,169	6,147,078	C6B4	10	-77.025414	0.140087
10,447,170	6,147,078	C6B4	10	-76.916988	0.248512
10,447,171	6,147,078	C6B4	10	-76.747171	0.418329
10,447,172	6,147,078	C6B4	10	-76.478945	0.686555
10,447,173	6,147,078	C6B4	10	-75.213076	1.952425
10,447,174	6,147,078	C6B4	10	-71.550723	5.614778
10,447,175	6,148,583	C7B5	12	-93.95265	-1.596254
10,447,176	6,148,583	C7B5	12	-93.763386	-1.40699
10,447,177	6,148,583	C7B5	12	-93.642107	-1.28571
10,447,178	6,148,583	C7B5	12	-93.210734	-0.854337
10,447,179	6,148,584	C7B5	12	-93.609502	-1.253105
10,447,180	6,148,584	C7B5	12	-93.486173	-1.129776
10,447,181	6,148,584	C7B5	12	-93.213291	-0.856894
10,447,182	6,148,585	C7B5	12	-93.321363	-0.964967
10,447,183	6,148,585	C7B5	12	-93.121881	-0.765485
10,447,184	6,148,585	C7B5	12	-92.919164	-0.562768
10,447,185	6,148,585	C7B5	12	-92.472355	-0.115958
10,447,186	6,148,587	C7B5	12	-93.550903	-1.194506
10,447,187	6,148,587	C7B5	12	-93.291228	-0.934832
10,447,188	6,148,587	C7B5	12	-92.994354	-0.637957
10,447,189	6,148,592	C7B5	12	-93.20978	-0.853383
10,447,190	6,148,592	C7B5	12	-93.07042	-0.714023
10,447,191	6,148,592	C7B5	12	-92.793032	-0.436636
10,447,192	6,147,099	C6B4	10	-78.670216	-1.504715
10,447,193	6,147,099	C6B4	10	-78.494351	-1.32885
10,447,194	6,147,099	C6B4	10	-78.38225	-1.21675
10,447,195	6,147,099	C6B4	10	-77.68023	-0.51473
10,447,196	6,147,099	C6B4	10	-76.494193	0.671308
10,447,197	6,147,099	C6B4	10	-72.34406	4.82144
10,447,198	6,147,168	C6B4	10	-79.320438	-2.154938
10,447,199	6,147,168	C6B4	10	-79.072207	-1.906706

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