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
10,444,100	6,149,770	C4B8	12	-85.441435	3.281899
10,444,101	6,149,770	C4B8	12	-85.204296	3.519037
10,444,102	6,149,770	C4B8	12	-83.990048	4.733285
10,444,103	6,149,770	C4B8	12	-79.796339	8.926995
10,444,104	6,149,790	C4B8	12	-85.335281	3.388053
10,444,105	6,149,790	C4B8	12	-85.205242	3.518092
10,444,106	6,149,790	C4B8	12	-85.084416	3.638918
10,444,107	6,149,790	C4B8	12	-84.920252	3.803082
10,444,108	6,149,790	C4B8	12	-84.796523	3.926811
10,444,109	6,149,790	C4B8	12	-84.641675	4.081658
10,444,110	6,149,790	C4B8	12	-83.588854	5.13448
10,444,111	6,149,790	C4B8	12	-79.466167	9.257167
10,444,112	6,149,793	C4B8	12	-83.776754	4.94658
10,444,113	6,149,793	C4B8	12	-83.621581	5.101753
10,444,114	6,149,793	C4B8	12	-83.377923	5.34541
10,444,115	6,149,793	C4B8	12	-83.248697	5.474637
10,444,116	6,149,793	C4B8	12	-82.006898	6.716435
10,444,117	6,149,793	C4B8	12	-83.201906	5.521427
10,444,118	6,149,793	C4B8	12	-83.007527	5.715807
10,444,119	6,149,793	C4B8	12	-82.80791	5.915424
10,444,120	6,149,793	C4B8	12	-82.628897	6.094437
10,444,121	6,149,793	C4B8	12	-82.467046	6.256287
10,444,122	6,149,793	C4B8	12	-82.130151	6.593182
10,444,123	6,149,793	C4B8	12	-81.797554	6.925779
10,444,124	6,149,793	C4B8	12	-81.603895	7.119439
10,444,125	6,149,793	C4B8	12	-78.949019	9.774314
10,444,126	6,149,796	C4B8	12	-84.789054	3.934279
10,444,127	6,149,796	C4B8	12	-84.662096	4.061237
10,444,128	6,149,796	C4B8	12	-84.528724	4.194609
10,444,129	6,149,796	C4B8	12	-84.389863	4.33347
10,444,130	6,149,796	C4B8	12	-84.029659	4.693675
10,444,131	6,149,796	C4B8	12	-82.712215	6.011119
10,444,132	6,149,796	C4B8	12	-79.278361	9.444973
10,444,133	6,150,629	C4B8	12	-85.344717	3.378617
10,444,134	6,150,629	C4B8	12	-85.18529	3.538044
10,444,135	6,150,629	C4B8	12	-85.008034	3.7153
10,444,136	6,150,629	C4B8	12	-84.879567	3.843767
10,444,137	6,150,629	C4B8	12	-84.644824	4.078509
10,444,138	6,150,629	C4B8	12	-84.455345	4.267989
10,444,139	6,150,629	C4B8	12	-84.22675	4.496584
10,444,140	6,150,629	C4B8	12	-83.582683	5.140651
10,444,141	6,150,629	C4B8	12	-79.3349	9.388434
10,444,142	6,150,029	C4B8	12	-85.460267	3.263067
10,444,143	6,150,029	C4B8	12	-85.333975	3.389359
10,444,144	6,150,029	C4B8	12	-85.156686	3.566647
10,444,145	6,150,029	C4B8	12	-84.998941	3.724393
10,444,146	6,150,029	C4B8	12	-84.81005	3.913284
10,444,147	6,150,029	C4B8	12	-84.593215	4.130119
10,444,148	6,150,029	C4B8	12	-84.386033	4.337301
10,444,149	6,150,029	C4B8	12	-84.184139	4.539194
10,444,150	6,150,029	C4B8	12	-84.051599	4.671734
10,444,151	6,150,029	C4B8	12	-83.769871	4.953463
10,444,152	6,150,029	C4B8	12	-83.956315	4.767019
10,444,153	6,150,029	C4B8	12	-83.83267	4.890664
10,444,154	6,150,029	C4B8	12	-83.710161	5.013173
10,444,155	6,150,029	C4B8	12	-83.581025	5.142309
10,444,156	6,150,029	C4B8	12	-83.340154	5.38318
10,444,157	6,150,029	C4B8	12	-82.835784	5.88755
10,444,158	6,150,029	C4B8	12	-82.708513	6.014821
10,444,159	6,150,029	C4B8	12	-81.833864	6.889469
10,444,160	6,150,029	C4B8	12	-78.580358	10.142976
10,444,161	6,150,043	C4B8	12	-86.113954	2.60938
10,444,162	6,150,043	C4B8	12	-85.954371	2.768963
10,444,163	6,150,043	C4B8	12	-85.816539	2.906795
10,444,164	6,150,043	C4B8	12	-85.662804	3.06053
10,444,165	6,150,043	C4B8	12	-85.510762	3.212571
10,444,166	6,150,043	C4B8	12	-85.239011	3.484322
10,444,167	6,150,043	C4B8	12	-84.93907	3.784264
10,444,168	6,150,043	C4B8	12	-84.765186	3.958148
10,444,169	6,150,043	C4B8	12	-84.529857	4.193477
10,444,170	6,150,043	C4B8	12	-84.28595	4.437384
10,444,171	6,150,043	C4B8	12	-83.936521	4.786812
10,444,172	6,150,043	C4B8	12	-83.727367	4.995966
10,444,173	6,150,043	C4B8	12	-83.422963	5.300371
10,444,174	6,150,043	C4B8	12	-83.130262	5.593072
10,444,175	6,150,043	C4B8	12	-82.601291	6.122042
10,444,176	6,150,043	C4B8	12	-82.466701	6.256632
10,444,177	6,150,043	C4B8	12	-79.22805	9.495284
10,444,178	6,150,059	C4B8	12	-86.878065	1.845269
10,444,179	6,150,059	C4B8	12	-86.723622	1.999712
10,444,180	6,150,059	C4B8	12	-86.502611	2.220723
10,444,181	6,150,059	C4B8	12	-86.324396	2.398938
10,444,182	6,150,059	C4B8	12	-86.135863	2.587471
10,444,183	6,150,059	C4B8	12	-85.830541	2.892792
10,444,184	6,150,059	C4B8	12	-85.666894	3.05644
10,444,185	6,150,059	C4B8	12	-85.370925	3.352409
10,444,186	6,150,059	C4B8	12	-84.897651	3.825683
10,444,187	6,150,059	C4B8	12	-84.233918	4.489416
10,444,188	6,150,059	C4B8	12	-83.809345	4.913988
10,444,189	6,150,059	C4B8	12	-83.488967	5.234367
10,444,190	6,150,059	C4B8	12	-83.053562	5.669771
10,444,191	6,150,059	C4B8	12	-82.593903	6.129431
10,444,192	6,150,059	C4B8	12	-82.036314	6.68702
10,444,193	6,150,059	C4B8	12	-81.87151	6.851823
10,444,194	6,150,059	C4B8	12	-78.960154	9.763179
10,444,195	6,150,084	C4B8	12	-84.970061	3.753273
10,444,196	6,150,084	C4B8	12	-84.831949	3.891385
10,444,197	6,150,084	C4B8	12	-84.692301	4.031032
10,444,198	6,150,084	C4B8	12	-84.523302	4.200031
10,444,199	6,150,084	C4B8	12	-84.338679	4.384655

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