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 |
|---|---|---|---|---|---|
5,900 | 3,288,672 | Ba10In4 | 14 | -33.56284 | 3.805853 |
5,901 | 3,288,672 | Ba10In4 | 14 | -33.554959 | 3.813733 |
5,902 | 3,294,989 | Ba4In2 | 6 | -14.328828 | 1.715066 |
5,903 | 3,294,989 | Ba4In2 | 6 | -14.323919 | 1.719975 |
5,904 | 3,287,746 | Ba3In2 | 5 | -12.927758 | 0.475684 |
5,905 | 3,287,746 | Ba3In2 | 5 | -12.923796 | 0.479645 |
5,906 | 3,287,106 | In4S6 | 10 | -40.322559 | 3.40252 |
5,907 | 3,287,106 | In4S6 | 10 | -40.312715 | 3.412364 |
5,908 | 3,289,682 | In3S4 | 7 | -28.075993 | 1.98774 |
5,909 | 3,289,682 | In3S4 | 7 | -28.074322 | 1.989411 |
5,910 | 3,296,278 | F6In2 | 8 | -35.765999 | 0.451091 |
5,911 | 3,296,278 | F6In2 | 8 | -35.687684 | 0.529406 |
5,912 | 3,286,752 | Au2K3 | 5 | -11.220521 | -0.315014 |
5,913 | 3,286,752 | Au2K3 | 5 | -11.22426 | -0.318752 |
5,914 | 3,288,489 | Au4K10 | 14 | -26.805053 | 0.78098 |
5,915 | 3,288,489 | Au4K10 | 14 | -26.813849 | 0.772184 |
5,916 | 3,291,079 | Au6K14 | 20 | -38.774803 | 1.160491 |
5,917 | 3,291,079 | Au6K14 | 20 | -38.787509 | 1.147785 |
5,918 | 3,293,861 | Au4K4 | 8 | -19.825066 | -0.901559 |
5,919 | 3,293,861 | Au4K4 | 8 | -19.83156 | -0.908052 |
5,920 | 3,287,872 | Nb12Sb8 | 20 | -156.081988 | -0.543625 |
5,921 | 3,287,872 | Nb12Sb8 | 20 | -156.084197 | -0.545833 |
5,922 | 3,289,859 | Mg8Pb6 | 14 | -35.54117 | -0.334013 |
5,923 | 3,289,859 | Mg8Pb6 | 14 | -35.520332 | -0.313175 |
5,924 | 3,289,316 | Mg13Pb3 | 16 | -31.972635 | 1.269702 |
5,925 | 3,289,316 | Mg13Pb3 | 16 | -31.912818 | 1.329519 |
5,926 | 3,293,303 | Mg5Pb7 | 12 | -34.024021 | -0.478777 |
5,927 | 3,293,303 | Mg5Pb7 | 12 | -33.954212 | -0.408968 |
5,928 | 3,297,516 | MgPb4 | 5 | -16.454559 | -0.512893 |
5,929 | 3,297,516 | MgPb4 | 5 | -16.457852 | -0.516187 |
5,930 | 3,286,815 | Mg4Pb6 | 10 | -28.594568 | -0.33797 |
5,931 | 3,286,815 | Mg4Pb6 | 10 | -28.591347 | -0.334749 |
5,932 | 3,293,302 | Mg7Pb5 | 12 | -29.494616 | 0.423894 |
5,933 | 3,293,302 | Mg7Pb5 | 12 | -29.475937 | 0.442574 |
5,934 | 3,290,958 | Sb6Ti10 | 16 | -110.892128 | -1.017685 |
5,935 | 3,290,958 | Sb6Ti10 | 16 | -110.885245 | -1.010802 |
5,936 | 3,287,466 | Mg6Zn4 | 10 | -13.518815 | 2.097629 |
5,937 | 3,287,466 | Mg6Zn4 | 10 | -13.500575 | 2.11587 |
5,938 | 3,286,303 | Mg2Zn13 | 15 | -18.278571 | 2.066176 |
5,939 | 3,286,303 | Mg2Zn13 | 15 | -18.036126 | 2.30862 |
5,940 | 3,286,303 | Mg2Zn13 | 15 | -17.868266 | 2.47648 |
5,941 | 3,286,303 | Mg2Zn13 | 15 | -17.670345 | 2.674402 |
5,942 | 3,286,303 | Mg2Zn13 | 15 | -17.595322 | 2.749424 |
5,943 | 3,293,697 | Mg4Zn4 | 8 | -12.140042 | 0.001122 |
5,944 | 3,293,697 | Mg4Zn4 | 8 | -12.139787 | 0.001378 |
5,945 | 3,298,554 | Cl8Te2 | 10 | -27.058889 | 7.383285 |
5,946 | 3,298,554 | Cl8Te2 | 10 | -26.957339 | 7.484836 |
5,947 | 3,297,446 | V2W8 | 10 | -117.438928 | -6.496448 |
5,948 | 3,297,446 | V2W8 | 10 | -117.424444 | -6.481964 |
5,949 | 3,299,030 | V2W10 | 12 | -139.769272 | -5.507005 |
5,950 | 3,299,030 | V2W10 | 12 | -139.756449 | -5.494182 |
5,951 | 3,297,447 | V8W2 | 10 | -96.264861 | -2.291742 |
5,952 | 3,297,447 | V8W2 | 10 | -95.938199 | -1.96508 |
5,953 | 3,297,447 | V8W2 | 10 | -96.100051 | -2.126932 |
5,954 | 3,298,441 | Cd4Sr | 5 | -6.562564 | -0.991745 |
5,955 | 3,298,441 | Cd4Sr | 5 | -6.539378 | -0.96856 |
5,956 | 3,294,891 | CdSr2 | 3 | -4.597486 | 0.877619 |
5,957 | 3,294,891 | CdSr2 | 3 | -4.660228 | 0.814876 |
5,958 | 3,294,891 | CdSr2 | 3 | -2.359619 | 3.115485 |
5,959 | 3,294,891 | CdSr2 | 3 | -1.316892 | 4.158213 |
5,960 | 3,294,891 | CdSr2 | 3 | -1.081956 | 4.393149 |
5,961 | 3,299,276 | Be5Co | 6 | -26.745323 | -0.942714 |
5,962 | 3,299,276 | Be5Co | 6 | -26.728568 | -0.925959 |
5,963 | 3,289,943 | Ag3Se4 | 7 | -21.761309 | 4.462837 |
5,964 | 3,289,943 | Ag3Se4 | 7 | -21.752191 | 4.471955 |
5,965 | 3,295,040 | BS2 | 3 | -13.74797 | 4.162271 |
5,966 | 3,295,040 | BS2 | 3 | -13.726061 | 4.184179 |
5,967 | 3,287,815 | B4S6 | 10 | -54.498862 | 6.221798 |
5,968 | 3,287,815 | B4S6 | 10 | -54.472156 | 6.248505 |
5,969 | 3,290,145 | V4W3 | 7 | -73.374794 | -3.068447 |
5,970 | 3,290,145 | V4W3 | 7 | -73.189709 | -2.883363 |
5,971 | 3,290,145 | V4W3 | 7 | -73.321118 | -3.014772 |
5,972 | 3,288,345 | Ag10Se4 | 14 | -42.176667 | 0.315275 |
5,973 | 3,288,345 | Ag10Se4 | 14 | -42.059265 | 0.432677 |
5,974 | 3,291,095 | V14W6 | 20 | -199.591601 | -5.988909 |
5,975 | 3,291,095 | V14W6 | 20 | -199.952761 | -6.35007 |
5,976 | 3,291,095 | V14W6 | 20 | -182.438679 | 11.164013 |
5,977 | 3,291,095 | V14W6 | 20 | -192.456215 | 1.146477 |
5,978 | 3,293,276 | V5W7 | 12 | -137.246338 | -11.468751 |
5,979 | 3,293,276 | V5W7 | 12 | -136.967352 | -11.189766 |
5,980 | 3,293,276 | V5W7 | 12 | -137.186791 | -11.409205 |
5,981 | 3,289,286 | V3W13 | 16 | -196.733338 | -18.659724 |
5,982 | 3,289,286 | V3W13 | 16 | -196.733315 | -18.659701 |
5,983 | 3,292,386 | V5W4 | 9 | -97.995287 | -7.197381 |
5,984 | 3,292,386 | V5W4 | 9 | -97.746023 | -6.948117 |
5,985 | 3,292,386 | V5W4 | 9 | -97.930843 | -7.132937 |
5,986 | 3,290,403 | V3W5 | 8 | -92.80474 | -8.010274 |
5,987 | 3,290,403 | V3W5 | 8 | -92.662029 | -7.867562 |
5,988 | 3,290,403 | V3W5 | 8 | -92.777594 | -7.983128 |
5,989 | 3,289,287 | V13W3 | 16 | -157.786985 | -7.99564 |
5,990 | 3,289,287 | V13W3 | 16 | -157.208273 | -7.416928 |
5,991 | 3,289,287 | V13W3 | 16 | -157.533229 | -7.741884 |
5,992 | 3,299,270 | Fe5Zn | 6 | -43.36403 | -3.108099 |
5,993 | 3,299,270 | Fe5Zn | 6 | -43.300148 | -3.044217 |
5,994 | 3,299,270 | Fe5Zn | 6 | -43.229299 | -2.973368 |
5,995 | 3,299,270 | Fe5Zn | 6 | -43.153746 | -2.897815 |
5,996 | 3,299,270 | Fe5Zn | 6 | -43.088643 | -2.832712 |
5,997 | 3,299,270 | Fe5Zn | 6 | -42.990948 | -2.735016 |
5,998 | 3,299,270 | Fe5Zn | 6 | -42.743535 | -2.487604 |
5,999 | 3,299,270 | Fe5Zn | 6 | -42.869792 | -2.613861 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.