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 |
|---|---|---|---|---|---|
900 | 3,292,426 | Rh5V4 | 9 | -76.04079 | -2.109678 |
901 | 3,292,426 | Rh5V4 | 9 | -76.006916 | -2.075804 |
902 | 3,286,706 | Ni2Zr3 | 5 | -38.636581 | -0.779381 |
903 | 3,286,706 | Ni2Zr3 | 5 | -38.58727 | -0.730071 |
904 | 3,297,342 | Ga4In | 5 | -14.754864 | 1.180945 |
905 | 3,297,342 | Ga4In | 5 | -14.538719 | 1.397091 |
906 | 3,292,806 | In5Se6 | 11 | -39.848538 | 2.735023 |
907 | 3,292,806 | In5Se6 | 11 | -39.842266 | 2.741295 |
908 | 3,290,891 | Ir5V3 | 8 | -75.437025 | -4.11519 |
909 | 3,290,891 | Ir5V3 | 8 | -75.436774 | -4.11494 |
910 | 3,300,226 | V8W | 9 | -86.052992 | -3.739766 |
911 | 3,300,226 | V8W | 9 | -85.717212 | -3.403986 |
912 | 3,300,226 | V8W | 9 | -85.87545 | -3.562224 |
913 | 3,293,632 | Ge6V6 | 12 | -85.180354 | -1.846179 |
914 | 3,293,632 | Ge6V6 | 12 | -85.177549 | -1.843374 |
915 | 3,295,079 | Ni2V | 3 | -19.562675 | 0.63753 |
916 | 3,295,079 | Ni2V | 3 | -19.734257 | 0.465948 |
917 | 3,295,079 | Ni2V | 3 | -19.586459 | 0.613746 |
918 | 3,295,079 | Ni2V | 3 | -19.705178 | 0.495027 |
919 | 3,295,079 | Ni2V | 3 | -15.447431 | 4.752774 |
920 | 3,295,079 | Ni2V | 3 | -0.727523 | 19.472681 |
921 | 3,295,079 | Ni2V | 3 | -14.228372 | 5.971833 |
922 | 3,295,079 | Ni2V | 3 | -10.826866 | 9.373338 |
923 | 3,288,484 | Au10In4 | 14 | -45.566997 | -1.731602 |
924 | 3,288,484 | Au10In4 | 14 | -45.561816 | -1.726421 |
925 | 3,298,768 | Tc2V10 | 12 | -112.768953 | -4.923541 |
926 | 3,298,768 | Tc2V10 | 12 | -113.47447 | -5.629058 |
927 | 3,298,768 | Tc2V10 | 12 | -113.310202 | -5.464791 |
928 | 3,298,768 | Tc2V10 | 12 | -113.147883 | -5.302471 |
929 | 3,298,768 | Tc2V10 | 12 | -112.889919 | -5.044507 |
930 | 3,298,768 | Tc2V10 | 12 | -112.423159 | -4.577748 |
931 | 3,298,768 | Tc2V10 | 12 | -112.171686 | -4.326274 |
932 | 3,298,768 | Tc2V10 | 12 | -111.815086 | -3.969674 |
933 | 3,298,768 | Tc2V10 | 12 | -111.499084 | -3.653672 |
934 | 3,298,768 | Tc2V10 | 12 | -110.617452 | -2.77204 |
935 | 3,298,768 | Tc2V10 | 12 | -109.516611 | -1.6712 |
936 | 3,298,768 | Tc2V10 | 12 | -108.851429 | -1.006017 |
937 | 3,298,768 | Tc2V10 | 12 | -108.613307 | -0.767896 |
938 | 3,298,768 | Tc2V10 | 12 | -108.387728 | -0.542316 |
939 | 3,298,768 | Tc2V10 | 12 | -108.151996 | -0.306584 |
940 | 3,298,768 | Tc2V10 | 12 | -107.160565 | 0.684847 |
941 | 3,298,768 | Tc2V10 | 12 | -105.590284 | 2.255128 |
942 | 3,298,768 | Tc2V10 | 12 | -105.139447 | 2.705964 |
943 | 3,298,768 | Tc2V10 | 12 | -104.300969 | 3.544443 |
944 | 3,298,768 | Tc2V10 | 12 | -105.020224 | 2.825187 |
945 | 3,298,768 | Tc2V10 | 12 | -104.164675 | 3.680737 |
946 | 3,298,768 | Tc2V10 | 12 | -103.770463 | 4.074948 |
947 | 3,298,768 | Tc2V10 | 12 | -102.456724 | 5.388687 |
948 | 3,298,768 | Tc2V10 | 12 | -102.199176 | 5.646236 |
949 | 3,298,768 | Tc2V10 | 12 | -97.458322 | 10.38709 |
950 | 3,298,768 | Tc2V10 | 12 | -97.04482 | 10.800592 |
951 | 3,298,768 | Tc2V10 | 12 | -95.005804 | 12.839608 |
952 | 3,298,768 | Tc2V10 | 12 | -93.705981 | 14.139431 |
953 | 3,298,768 | Tc2V10 | 12 | -94.730086 | 13.115325 |
954 | 3,298,768 | Tc2V10 | 12 | -81.846478 | 25.998933 |
955 | 3,298,768 | Tc2V10 | 12 | -49.795334 | 58.050078 |
956 | 3,298,768 | Tc2V10 | 12 | -74.340675 | 33.504737 |
957 | 3,298,768 | Tc2V10 | 12 | -64.816179 | 43.029233 |
958 | 3,294,773 | Bi4In8 | 12 | -37.287781 | 0.467778 |
959 | 3,294,773 | Bi4In8 | 12 | -37.278954 | 0.476605 |
960 | 3,291,645 | Ag8Sn3 | 11 | -32.033172 | -1.185656 |
961 | 3,291,645 | Ag8Sn3 | 11 | -31.990363 | -1.142847 |
962 | 3,294,032 | In4Pd4 | 8 | -35.376467 | -2.249271 |
963 | 3,294,032 | In4Pd4 | 8 | -35.372451 | -2.245256 |
964 | 3,294,277 | SnV12 | 13 | -91.917782 | 18.147466 |
965 | 3,294,277 | SnV12 | 13 | -91.698555 | 18.366693 |
966 | 3,294,277 | SnV12 | 13 | -91.129718 | 18.93553 |
967 | 3,290,154 | Re4V3 | 7 | -76.203315 | -3.873129 |
968 | 3,290,154 | Re4V3 | 7 | -76.202619 | -3.872432 |
969 | 3,296,612 | As2V6 | 8 | -66.389915 | -3.121824 |
970 | 3,296,612 | As2V6 | 8 | -66.218012 | -2.94992 |
971 | 3,296,612 | As2V6 | 8 | -66.266187 | -2.998096 |
972 | 3,290,123 | In3Te4 | 7 | -22.5382 | 1.376219 |
973 | 3,290,123 | In3Te4 | 7 | -22.535448 | 1.378971 |
974 | 3,287,821 | In4Te6 | 10 | -32.169082 | 2.332024 |
975 | 3,287,821 | In4Te6 | 10 | -32.161108 | 2.339998 |
976 | 3,293,749 | AgF | 2 | -6.510805 | 0.935667 |
977 | 3,293,749 | AgF | 2 | -6.38962 | 1.056852 |
978 | 3,293,749 | AgF | 2 | -6.107933 | 1.338539 |
979 | 3,297,775 | Re2V8 | 10 | -97.967944 | -4.397019 |
980 | 3,297,775 | Re2V8 | 10 | -97.547613 | -3.976687 |
981 | 3,297,775 | Re2V8 | 10 | -97.798794 | -4.227868 |
982 | 3,291,722 | Au8In3 | 11 | -34.175513 | 0.344595 |
983 | 3,291,722 | Au8In3 | 11 | -34.167609 | 0.352499 |
984 | 3,292,848 | S6V5 | 11 | -78.251655 | -1.332412 |
985 | 3,292,848 | S6V5 | 11 | -78.137445 | -1.218202 |
986 | 3,292,848 | S6V5 | 11 | -78.84626 | -1.927017 |
987 | 3,292,848 | S6V5 | 11 | -78.67474 | -1.755497 |
988 | 3,292,848 | S6V5 | 11 | -78.552712 | -1.633469 |
989 | 3,292,848 | S6V5 | 11 | -78.3926 | -1.473357 |
990 | 3,295,895 | Ru4V2 | 6 | -55.924591 | -1.637462 |
991 | 3,295,895 | Ru4V2 | 6 | -55.908343 | -1.621214 |
992 | 3,289,660 | Br8In6 | 14 | -38.724368 | 0.53116 |
993 | 3,289,660 | Br8In6 | 14 | -38.705335 | 0.550192 |
994 | 3,297,132 | F6V2 | 8 | -47.011608 | 1.386731 |
995 | 3,297,132 | F6V2 | 8 | -46.922303 | 1.476036 |
996 | 3,297,132 | F6V2 | 8 | -46.763279 | 1.635059 |
997 | 3,297,132 | F6V2 | 8 | -46.619676 | 1.778662 |
998 | 3,297,132 | F6V2 | 8 | -46.400803 | 1.997535 |
999 | 3,297,132 | F6V2 | 8 | -46.180332 | 2.218006 |
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