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
10,446,800	4,447,259	Cl4W4	8	-51.169363	8.768474
10,446,801	4,454,699	Ir6Sn6	12	-74.362845	3.940854
10,446,802	4,454,699	Ir6Sn6	12	-74.362845	3.940855
10,446,803	4,447,266	Cl4W4	8	-42.008226	17.929612
10,446,804	4,447,266	Cl4W4	8	-42.00876	17.929078
10,446,805	4,454,618	Os4Sn4	8	-52.449833	5.726311
10,446,806	4,454,618	Os4Sn4	8	-52.450755	5.725389
10,446,807	4,454,622	Pb8Sn8	16	-60.025342	1.064706
10,446,808	4,454,622	Pb8Sn8	16	-59.884192	1.205856
10,446,809	4,455,475	Se8W8	16	-125.535198	6.248416
10,446,810	4,455,475	Se8W8	16	-125.529525	6.254089
10,446,811	4,443,450	Ba8Ge8	16	-55.905171	5.677349
10,446,812	4,443,450	Ba8Ge8	16	-55.905141	5.67738
10,446,813	4,452,131	Bi6W6	12	-90.568093	3.1321
10,446,814	4,452,131	Bi6W6	12	-90.56798	3.132213
10,446,815	4,444,486	Br4Fe4	8	-36.002625	6.568636
10,446,816	4,444,486	Br4Fe4	8	-36.003378	6.567883
10,446,817	4,468,222	Au4Bi4	8	-27.017658	1.958054
10,446,818	4,468,222	Au4Bi4	8	-27.017658	1.958054
10,446,819	4,455,477	Se4W4	8	-60.156179	5.735628
10,446,820	4,455,477	Se4W4	8	-60.156133	5.735674
10,446,821	4,444,621	F6W6	12	-63.058141	37.636225
10,446,822	4,444,621	F6W6	12	-62.940386	37.75398
10,446,823	4,458,722	Pd16Sn16	32	-153.584415	0.431684
10,446,824	4,458,722	Pd16Sn16	32	-153.588043	0.428056
10,446,825	4,459,669	Bi2Os2	4	-24.227618	4.603566
10,446,826	4,459,669	Bi2Os2	4	-24.227618	4.603566
10,446,827	4,448,886	C8Sn8	16	-89.325116	8.964547
10,446,828	4,448,886	C8Sn8	16	-89.323622	8.966042
10,446,829	4,449,466	C8Bi8	16	-76.66103	20.601081
10,446,830	4,449,466	C8Bi8	16	-76.385749	20.876363
10,446,831	4,449,466	C8Bi8	16	-76.290755	20.971356
10,446,832	6,150,197	C4B8	12	-84.245846	4.477487
10,446,833	6,150,197	C4B8	12	-84.093325	4.630009
10,446,834	6,150,197	C4B8	12	-83.950795	4.772539
10,446,835	6,150,197	C4B8	12	-83.80625	4.917084
10,446,836	6,150,197	C4B8	12	-83.685761	5.037572
10,446,837	6,150,197	C4B8	12	-83.49028	5.233054
10,446,838	6,150,197	C4B8	12	-82.794624	5.92871
10,446,839	6,150,197	C4B8	12	-78.985532	9.737802
10,446,840	6,150,199	C4B8	12	-85.486621	3.236712
10,446,841	6,150,199	C4B8	12	-85.34205	3.381284
10,446,842	6,150,199	C4B8	12	-85.220859	3.502475
10,446,843	6,150,199	C4B8	12	-84.998033	3.7253
10,446,844	6,150,199	C4B8	12	-85.188522	3.534811
10,446,845	6,150,199	C4B8	12	-85.066969	3.656364
10,446,846	6,150,199	C4B8	12	-84.940806	3.782528
10,446,847	6,150,199	C4B8	12	-84.692286	4.031048
10,446,848	6,150,199	C4B8	12	-84.423986	4.299347
10,446,849	6,150,199	C4B8	12	-84.064916	4.658418
10,446,850	6,150,199	C4B8	12	-83.662774	5.060559
10,446,851	6,150,199	C4B8	12	-82.732346	5.990988
10,446,852	6,150,199	C4B8	12	-78.642544	10.08079
10,446,853	6,150,358	C4B8	12	-85.031303	3.69203
10,446,854	6,150,358	C4B8	12	-84.845405	3.877928
10,446,855	6,150,358	C4B8	12	-84.680753	4.042581
10,446,856	6,150,358	C4B8	12	-84.493573	4.22976
10,446,857	6,150,358	C4B8	12	-84.346624	4.37671
10,446,858	6,150,358	C4B8	12	-84.217411	4.505922
10,446,859	6,150,358	C4B8	12	-84.093714	4.62962
10,446,860	6,150,358	C4B8	12	-83.972173	4.751161
10,446,861	6,150,358	C4B8	12	-83.834663	4.88867
10,446,862	6,150,358	C4B8	12	-83.682473	5.04086
10,446,863	6,150,358	C4B8	12	-83.560276	5.163058
10,446,864	6,150,358	C4B8	12	-83.190626	5.532708
10,446,865	6,150,358	C4B8	12	-82.780581	5.942753
10,446,866	6,150,358	C4B8	12	-82.187665	6.535669
10,446,867	6,150,358	C4B8	12	-82.053643	6.669691
10,446,868	6,150,358	C4B8	12	-78.816728	9.906606
10,446,869	6,150,396	C4B8	12	-85.7707	2.952634
10,446,870	6,150,396	C4B8	12	-85.602806	3.120528
10,446,871	6,150,396	C4B8	12	-85.342846	3.380488
10,446,872	6,150,396	C4B8	12	-85.172949	3.550385
10,446,873	6,150,396	C4B8	12	-84.912893	3.810441
10,446,874	6,150,396	C4B8	12	-84.71717	4.006164
10,446,875	6,150,396	C4B8	12	-84.58336	4.139974
10,446,876	6,150,396	C4B8	12	-84.454208	4.269126
10,446,877	6,150,396	C4B8	12	-84.250991	4.472343
10,446,878	6,150,396	C4B8	12	-84.105572	4.617761
10,446,879	6,150,396	C4B8	12	-83.965314	4.75802
10,446,880	6,150,396	C4B8	12	-83.82753	4.895804
10,446,881	6,150,396	C4B8	12	-83.647682	5.075652
10,446,882	6,150,396	C4B8	12	-83.397829	5.325505
10,446,883	6,150,396	C4B8	12	-83.059082	5.664252
10,446,884	6,150,396	C4B8	12	-82.403345	6.319989
10,446,885	6,150,396	C4B8	12	-82.267285	6.456049
10,446,886	6,150,396	C4B8	12	-81.547708	7.175626
10,446,887	6,150,396	C4B8	12	-81.395865	7.327469
10,446,888	6,150,396	C4B8	12	-78.634161	10.089173
10,446,889	6,150,675	C4B8	12	-85.468027	3.255307
10,446,890	6,150,675	C4B8	12	-85.346517	3.376817
10,446,891	6,150,675	C4B8	12	-85.146321	3.577013
10,446,892	6,150,675	C4B8	12	-84.971484	3.751849
10,446,893	6,150,675	C4B8	12	-84.743383	3.979951
10,446,894	6,150,675	C4B8	12	-84.615305	4.108029
10,446,895	6,150,675	C4B8	12	-84.432139	4.291195
10,446,896	6,150,675	C4B8	12	-84.118478	4.604856
10,446,897	6,150,675	C4B8	12	-83.8632	4.860134
10,446,898	6,150,675	C4B8	12	-83.429168	5.294166
10,446,899	6,150,675	C4B8	12	-83.013782	5.709552

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