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
10,446,100	6,150,131	C3B9	12	-83.482884	4.029429
10,446,101	6,150,131	C3B9	12	-83.276167	4.236146
10,446,102	6,150,131	C3B9	12	-82.764934	4.747379
10,446,103	6,150,131	C3B9	12	-83.160816	4.351497
10,446,104	6,150,131	C3B9	12	-82.984821	4.527492
10,446,105	6,150,131	C3B9	12	-82.842811	4.669502
10,446,106	6,150,131	C3B9	12	-82.719294	4.793018
10,446,107	6,150,131	C3B9	12	-82.576011	4.936302
10,446,108	6,150,131	C3B9	12	-82.426164	5.086149
10,446,109	6,150,131	C3B9	12	-82.288468	5.223845
10,446,110	6,150,131	C3B9	12	-82.166864	5.345448
10,446,111	6,150,131	C3B9	12	-82.03395	5.478362
10,446,112	6,150,131	C3B9	12	-81.912367	5.599946
10,446,113	6,150,131	C3B9	12	-81.756743	5.75557
10,446,114	6,150,131	C3B9	12	-81.636639	5.875674
10,446,115	6,150,131	C3B9	12	-81.500865	6.011448
10,446,116	6,150,131	C3B9	12	-81.363999	6.148314
10,446,117	6,150,131	C3B9	12	-81.239434	6.272878
10,446,118	6,150,131	C3B9	12	-81.07516	6.437153
10,446,119	6,150,131	C3B9	12	-80.857512	6.654801
10,446,120	6,150,131	C3B9	12	-80.507024	7.005289
10,446,121	6,150,131	C3B9	12	-80.381445	7.130867
10,446,122	6,150,131	C3B9	12	-80.083824	7.428489
10,446,123	6,150,131	C3B9	12	-79.780384	7.731929
10,446,124	6,150,131	C3B9	12	-79.229523	8.28279
10,446,125	6,150,131	C3B9	12	-76.638537	10.873775
10,446,126	6,150,162	C3B9	12	-83.899593	3.61272
10,446,127	6,150,162	C3B9	12	-83.777717	3.734596
10,446,128	6,150,162	C3B9	12	-83.552059	3.960254
10,446,129	6,150,162	C3B9	12	-83.307397	4.204916
10,446,130	6,150,162	C3B9	12	-83.009778	4.502535
10,446,131	6,150,162	C3B9	12	-82.701816	4.810497
10,446,132	6,150,162	C3B9	12	-82.443435	5.068877
10,446,133	6,150,162	C3B9	12	-82.260046	5.252267
10,446,134	6,150,162	C3B9	12	-79.803993	7.70832
10,446,135	6,150,162	C3B9	12	-82.335709	5.176604
10,446,136	6,150,162	C3B9	12	-81.759727	5.752586
10,446,137	6,150,162	C3B9	12	-81.517036	5.995276
10,446,138	6,150,162	C3B9	12	-81.36315	6.149163
10,446,139	6,150,162	C3B9	12	-81.079158	6.433155
10,446,140	6,150,162	C3B9	12	-80.573036	6.939277
10,446,141	6,150,162	C3B9	12	-79.745836	7.766477
10,446,142	6,150,162	C3B9	12	-77.152165	10.360148
10,446,143	6,150,178	C3B9	12	-83.34054	4.171773
10,446,144	6,150,178	C3B9	12	-83.207993	4.30432
10,446,145	6,150,178	C3B9	12	-83.087809	4.424504
10,446,146	6,150,178	C3B9	12	-82.941441	4.570872
10,446,147	6,150,178	C3B9	12	-82.807089	4.705224
10,446,148	6,150,178	C3B9	12	-82.686311	4.826002
10,446,149	6,150,178	C3B9	12	-82.554882	4.957431
10,446,150	6,150,178	C3B9	12	-82.429772	5.082541
10,446,151	6,150,178	C3B9	12	-82.284771	5.227542
10,446,152	6,150,178	C3B9	12	-82.073984	5.438329
10,446,153	6,150,178	C3B9	12	-81.940086	5.572227
10,446,154	6,150,178	C3B9	12	-81.798272	5.714041
10,446,155	6,150,178	C3B9	12	-81.642857	5.869456
10,446,156	6,150,178	C3B9	12	-81.432127	6.080185
10,446,157	6,150,178	C3B9	12	-81.237717	6.274596
10,446,158	6,150,178	C3B9	12	-81.048537	6.463776
10,446,159	6,150,178	C3B9	12	-80.486105	7.026208
10,446,160	6,150,178	C3B9	12	-80.305089	7.207224
10,446,161	6,150,178	C3B9	12	-79.106222	8.406091
10,446,162	6,150,178	C3B9	12	-76.421807	11.090505
10,446,163	6,150,188	C3B9	12	-82.45569	5.056623
10,446,164	6,150,188	C3B9	12	-82.334695	5.177618
10,446,165	6,150,188	C3B9	12	-82.194397	5.317916
10,446,166	6,150,188	C3B9	12	-82.037321	5.474992
10,446,167	6,150,188	C3B9	12	-81.869235	5.643078
10,446,168	6,150,188	C3B9	12	-81.667477	5.844835
10,446,169	6,150,188	C3B9	12	-81.538247	5.974066
10,446,170	6,150,188	C3B9	12	-81.367699	6.144613
10,446,171	6,150,188	C3B9	12	-81.1521	6.360213
10,446,172	6,150,188	C3B9	12	-80.988309	6.524004
10,446,173	6,150,188	C3B9	12	-80.825296	6.687017
10,446,174	6,150,188	C3B9	12	-80.640533	6.87178
10,446,175	6,150,188	C3B9	12	-80.515115	6.997197
10,446,176	6,150,188	C3B9	12	-80.383244	7.129069
10,446,177	6,150,188	C3B9	12	-80.179674	7.332638
10,446,178	6,150,188	C3B9	12	-79.609227	7.903086
10,446,179	6,150,188	C3B9	12	-77.017762	10.49455
10,446,180	6,150,205	C3B9	12	-82.084488	5.427825
10,446,181	6,150,205	C3B9	12	-81.950844	5.561469
10,446,182	6,150,205	C3B9	12	-81.80528	5.707033
10,446,183	6,150,205	C3B9	12	-81.553786	5.958527
10,446,184	6,150,205	C3B9	12	-81.408404	6.103909
10,446,185	6,150,205	C3B9	12	-81.226754	6.285559
10,446,186	6,150,205	C3B9	12	-81.094265	6.418047
10,446,187	6,150,205	C3B9	12	-80.920815	6.591498
10,446,188	6,150,205	C3B9	12	-80.716667	6.795646
10,446,189	6,150,205	C3B9	12	-80.522003	6.99031
10,446,190	6,150,205	C3B9	12	-80.263201	7.249112
10,446,191	6,150,205	C3B9	12	-79.517217	7.995096
10,446,192	6,150,205	C3B9	12	-76.444331	11.067982
10,446,193	6,150,211	C3B9	12	-82.993255	4.519058
10,446,194	6,150,211	C3B9	12	-82.835032	4.67728
10,446,195	6,150,211	C3B9	12	-82.682753	4.82956
10,446,196	6,150,211	C3B9	12	-82.530346	4.981967
10,446,197	6,150,211	C3B9	12	-82.266803	5.24551
10,446,198	6,150,211	C3B9	12	-82.029059	5.483254
10,446,199	6,150,211	C3B9	12	-81.677328	5.834985

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