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 |
|---|---|---|---|---|---|
11,000 | 3,293,151 | Rh7Ru5 | 12 | -93.438931 | 6.387039 |
11,001 | 3,295,172 | Rh2Ru4 | 6 | -51.751944 | 0.31363 |
11,002 | 3,295,172 | Rh2Ru4 | 6 | -51.750609 | 0.314966 |
11,003 | 3,295,367 | Ce8Co4 | 12 | -77.255532 | 3.616193 |
11,004 | 3,295,367 | Ce8Co4 | 12 | -77.253312 | 3.618413 |
11,005 | 3,289,785 | Pb4Pm3 | 7 | -31.814603 | -3.283719 |
11,006 | 3,289,785 | Pb4Pm3 | 7 | -31.809715 | -3.278831 |
11,007 | 3,298,534 | Ag4Pm | 5 | -16.659133 | -2.58763 |
11,008 | 3,298,534 | Ag4Pm | 5 | -16.640473 | -2.56897 |
11,009 | 3,295,772 | Co4Ga2 | 6 | -34.520915 | -1.000772 |
11,010 | 3,295,772 | Co4Ga2 | 6 | -34.617018 | -1.096876 |
11,011 | 3,295,772 | Co4Ga2 | 6 | -30.613631 | 2.906512 |
11,012 | 3,295,006 | Hg4Tm8 | 12 | -41.370798 | -6.120094 |
11,013 | 3,295,006 | Hg4Tm8 | 12 | -41.362097 | -6.111394 |
11,014 | 3,293,621 | Co2Ni2 | 4 | -25.260654 | -0.430736 |
11,015 | 3,293,621 | Co2Ni2 | 4 | -25.102078 | -0.27216 |
11,016 | 3,293,621 | Co2Ni2 | 4 | -25.082895 | -0.252978 |
11,017 | 3,294,316 | NdNi12 | 13 | -75.329859 | -2.387526 |
11,018 | 3,294,316 | NdNi12 | 13 | -75.330455 | -2.388121 |
11,019 | 3,298,221 | As2Br8 | 10 | -25.30058 | 7.786788 |
11,020 | 3,298,221 | As2Br8 | 10 | -25.190542 | 7.896826 |
11,021 | 3,298,221 | As2Br8 | 10 | -25.065925 | 8.021442 |
11,022 | 3,290,057 | Np3Se4 | 7 | -59.896798 | -1.998293 |
11,023 | 3,290,057 | Np3Se4 | 7 | -59.814186 | -1.915681 |
11,024 | 3,290,057 | Np3Se4 | 7 | -59.734912 | -1.836407 |
11,025 | 3,290,057 | Np3Se4 | 7 | -59.013714 | -1.115209 |
11,026 | 3,290,057 | Np3Se4 | 7 | -58.942309 | -1.043804 |
11,027 | 3,290,057 | Np3Se4 | 7 | -58.847889 | -0.949384 |
11,028 | 3,290,057 | Np3Se4 | 7 | -58.732821 | -0.834316 |
11,029 | 3,290,057 | Np3Se4 | 7 | -58.542327 | -0.643822 |
11,030 | 3,290,057 | Np3Se4 | 7 | -58.332881 | -0.434376 |
11,031 | 3,290,057 | Np3Se4 | 7 | -58.143034 | -0.244529 |
11,032 | 3,290,057 | Np3Se4 | 7 | -58.047119 | -0.148614 |
11,033 | 3,290,057 | Np3Se4 | 7 | -57.551673 | 0.346832 |
11,034 | 3,299,260 | Be5Ni | 6 | -25.520774 | -0.764586 |
11,035 | 3,299,260 | Be5Ni | 6 | -25.41738 | -0.661192 |
11,036 | 3,299,260 | Be5Ni | 6 | -25.497744 | -0.741556 |
11,037 | 3,299,260 | Be5Ni | 6 | -25.494028 | -0.73784 |
11,038 | 3,285,625 | As2Br13 | 15 | -33.637389 | 13.705775 |
11,039 | 3,285,625 | As2Br13 | 15 | -33.483652 | 13.859512 |
11,040 | 3,285,625 | As2Br13 | 15 | -33.271478 | 14.071686 |
11,041 | 3,285,625 | As2Br13 | 15 | -33.119002 | 14.224162 |
11,042 | 3,285,625 | As2Br13 | 15 | -32.917529 | 14.425635 |
11,043 | 3,285,625 | As2Br13 | 15 | -32.706124 | 14.63704 |
11,044 | 3,297,326 | BeNi4 | 5 | -27.555653 | -1.004193 |
11,045 | 3,297,326 | BeNi4 | 5 | -27.458214 | -0.906754 |
11,046 | 3,297,326 | BeNi4 | 5 | -27.409312 | -0.857852 |
11,047 | 3,295,132 | BeNi2 | 3 | -15.644095 | -0.461173 |
11,048 | 3,295,132 | BeNi2 | 3 | -15.581551 | -0.398629 |
11,049 | 3,291,072 | Bi6Ho10 | 16 | -79.564916 | -11.317439 |
11,050 | 3,291,072 | Bi6Ho10 | 16 | -79.564915 | -11.317438 |
11,051 | 3,286,289 | Be13Ni2 | 15 | -56.178741 | 4.776786 |
11,052 | 3,286,289 | Be13Ni2 | 15 | -56.147986 | 4.807542 |
11,053 | 3,297,537 | Np2P8 | 10 | -70.680748 | 3.996245 |
11,054 | 3,297,537 | Np2P8 | 10 | -70.511144 | 4.165849 |
11,055 | 3,297,537 | Np2P8 | 10 | -70.295479 | 4.381514 |
11,056 | 3,297,867 | F8Np2 | 10 | -75.018857 | -8.274669 |
11,057 | 3,297,867 | F8Np2 | 10 | -74.916146 | -8.171958 |
11,058 | 3,297,867 | F8Np2 | 10 | -74.664507 | -7.920319 |
11,059 | 3,297,867 | F8Np2 | 10 | -74.562258 | -7.81807 |
11,060 | 3,297,867 | F8Np2 | 10 | -74.43071 | -7.686522 |
11,061 | 3,297,867 | F8Np2 | 10 | -74.313555 | -7.569367 |
11,062 | 3,297,867 | F8Np2 | 10 | -74.014354 | -7.270166 |
11,063 | 3,297,867 | F8Np2 | 10 | -73.940296 | -7.196108 |
11,064 | 3,287,794 | Np4P6 | 10 | -89.503686 | -1.290715 |
11,065 | 3,287,794 | Np4P6 | 10 | -89.315365 | -1.102394 |
11,066 | 3,287,794 | Np4P6 | 10 | -89.205679 | -0.992708 |
11,067 | 3,288,268 | Au4Y10 | 14 | -85.084983 | -7.943015 |
11,068 | 3,288,268 | Au4Y10 | 14 | -85.067589 | -7.925621 |
11,069 | 3,297,873 | Au2Y8 | 10 | -60.662504 | -2.893477 |
11,070 | 3,297,873 | Au2Y8 | 10 | -60.645818 | -2.876791 |
11,071 | 3,299,089 | Cs10Hg2 | 12 | -9.789608 | 4.285422 |
11,072 | 3,299,089 | Cs10Hg2 | 12 | -9.737628 | 4.337403 |
11,073 | 3,292,683 | Ho5N4 | 9 | -59.828322 | -1.040653 |
11,074 | 3,292,683 | Ho5N4 | 9 | -59.783844 | -0.996175 |
11,075 | 3,294,104 | Er4Si4 | 8 | -46.230019 | -4.438718 |
11,076 | 3,294,104 | Er4Si4 | 8 | -46.22991 | -4.43861 |
11,077 | 3,286,634 | Er3Si2 | 5 | -27.715861 | -2.367883 |
11,078 | 3,286,634 | Er3Si2 | 5 | -27.715749 | -2.367772 |
11,079 | 3,286,840 | Cs3Hg2 | 5 | -4.113713 | 0.225636 |
11,080 | 3,286,840 | Cs3Hg2 | 5 | -4.085963 | 0.253386 |
11,081 | 3,298,473 | Ni16Pa4 | 20 | -136.269486 | -3.307519 |
11,082 | 3,298,473 | Ni16Pa4 | 20 | -135.748979 | -2.787012 |
11,083 | 3,298,473 | Ni16Pa4 | 20 | -135.826526 | -2.864559 |
11,084 | 3,287,063 | F6Hg4 | 10 | -24.581232 | 6.487602 |
11,085 | 3,287,063 | F6Hg4 | 10 | -24.454943 | 6.613891 |
11,086 | 3,287,063 | F6Hg4 | 10 | -24.347187 | 6.721647 |
11,087 | 3,287,063 | F6Hg4 | 10 | -24.132314 | 6.936519 |
11,088 | 3,289,801 | Cu4O3 | 7 | -33.315704 | 4.457463 |
11,089 | 3,289,801 | Cu4O3 | 7 | -33.231909 | 4.541258 |
11,090 | 3,295,667 | Er8Pb4 | 12 | -56.067217 | -6.244571 |
11,091 | 3,295,667 | Er8Pb4 | 12 | -56.280212 | -6.457567 |
11,092 | 3,295,667 | Er8Pb4 | 12 | -55.529789 | -5.707144 |
11,093 | 3,295,667 | Er8Pb4 | 12 | -54.177547 | -4.354902 |
11,094 | 3,295,667 | Er8Pb4 | 12 | -32.995716 | 16.826929 |
11,095 | 3,295,667 | Er8Pb4 | 12 | -49.967331 | -0.144686 |
11,096 | 3,295,667 | Er8Pb4 | 12 | -49.062659 | 0.759986 |
11,097 | 3,295,667 | Er8Pb4 | 12 | -32.337835 | 17.48481 |
11,098 | 3,299,491 | DyNi6 | 7 | -32.935012 | 5.656677 |
11,099 | 3,299,491 | DyNi6 | 7 | -32.824611 | 5.767077 |
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