material_id stringlengths 6 10 | formula_pretty stringlengths 3 24 | n_elements int64 2 8 | contains_transition_metal bool 2
classes | formation_energy_per_atom float64 -2.33 7.95 | energy_per_atom float64 -16.62 2.06 | band_gap float64 -0.87 5.03 | is_semiconductor bool 2
classes | density float64 -2.48 10.3 | volume float64 -1.19 19.9 | elements stringlengths 11 46 |
|---|---|---|---|---|---|---|---|---|---|---|
mp-677305 | Li17Ti20O40 | 3 | false | -1.125796 | -0.221247 | -0.868213 | false | 0.172137 | 0.814196 | ['Li', 'O', 'Ti'] |
mp-567528 | Li17(AgSn2)3 | 3 | false | 1.776998 | 1.281607 | -0.868213 | false | 0.151188 | 0.153299 | ['Ag', 'Li', 'Sn'] |
mp-685395 | Li17(WO3)19 | 3 | false | -0.142127 | -0.248006 | -0.682621 | false | 1.767641 | 2.154579 | ['Li', 'O', 'W'] |
mp-757655 | Li17Ni11O28 | 3 | true | 0.481045 | 0.450232 | -0.538196 | false | 0.391575 | 0.101852 | ['Li', 'Ni', 'O'] |
mp-766611 | Li17Ni11O28 | 3 | true | 0.5209 | 0.460743 | -0.379755 | false | 0.350811 | 0.120952 | ['Li', 'Ni', 'O'] |
mp-849476 | Li17Ag12F29 | 3 | false | -0.274501 | -0.472122 | 0.084868 | true | -0.132613 | 1.412233 | ['Ag', 'F', 'Li'] |
mp-543090 | Li17(CoO4)3 | 3 | true | 0.060938 | 0.52818 | -0.868213 | false | -0.722791 | 0.510311 | ['Co', 'Li', 'O'] |
mp-1246806 | Li17Cl5O6 | 3 | false | -0.048167 | 0.78636 | 0.932728 | true | -1.295581 | -0.203824 | ['Cl', 'Li', 'O'] |
mp-768424 | Li17(CoO4)4 | 3 | true | 0.192088 | 0.49036 | -0.323827 | false | -0.779128 | -0.107487 | ['Co', 'Li', 'O'] |
mp-761629 | Li17V16O32 | 3 | false | -0.51729 | -0.098085 | -0.430199 | false | 0.091838 | 0.544199 | ['Li', 'O', 'V'] |
mp-760086 | Li17Fe6(Si2O7)6 | 4 | true | -0.71547 | 0.007887 | -0.868213 | false | -0.59233 | 1.208879 | ['Fe', 'Li', 'O', 'Si'] |
mp-882899 | Li17Fe4(CO3)16 | 4 | true | 0.006985 | -0.000574 | -0.868213 | false | -0.961125 | 1.459139 | ['C', 'Fe', 'Li', 'O'] |
mp-1178100 | Li17Cr6(Si2O7)6 | 4 | false | -0.868439 | -0.059202 | -0.57415 | false | -0.601468 | 1.181765 | ['Cr', 'Li', 'O', 'Si'] |
mp-1120817 | Li17La12Zr8O48 | 4 | false | -1.135591 | -0.11783 | -0.861848 | false | 0.729284 | 2.013738 | ['La', 'Li', 'O', 'Zr'] |
mp-532423 | Li18Fe5N12 | 3 | true | 1.619126 | 0.500353 | -0.868213 | false | -0.54611 | 0.63225 | ['Fe', 'Li', 'N'] |
mp-1195224 | Na2Li18Ge17 | 3 | false | 1.865391 | 1.123917 | -0.766581 | false | -0.292399 | 4.865347 | ['Ge', 'Li', 'Na'] |
mp-530480 | Li19(FeAs)20 | 3 | true | 1.713743 | 0.519952 | -0.868213 | false | 0.941844 | 1.315709 | ['As', 'Fe', 'Li'] |
mp-698842 | Li19Ni23O42 | 3 | true | 0.559822 | 0.384092 | -0.868213 | false | 0.7518 | 0.880753 | ['Li', 'Ni', 'O'] |
mp-675504 | Li19(Mn3As4)3 | 3 | true | 1.723354 | 0.725531 | -0.868213 | false | 0.048582 | 0.67511 | ['As', 'Li', 'Mn'] |
mp-674982 | Li19Mn5N9 | 3 | true | 1.695617 | 0.604446 | -0.868213 | false | -1.048047 | -0.06865 | ['Li', 'Mn', 'N'] |
mp-768441 | Li19(CoO4)4 | 3 | true | 0.15126 | 0.507551 | -0.662172 | false | -0.688668 | -0.139208 | ['Co', 'Li', 'O'] |
mp-1223171 | Li19V12O32 | 3 | false | -0.514538 | 0.00477 | -0.399053 | false | -0.11877 | 0.446395 | ['Li', 'O', 'V'] |
mp-1178191 | Li19V8(BO3)16 | 4 | false | -0.697985 | -0.090684 | -0.465408 | false | -0.711532 | 1.40379 | ['B', 'Li', 'O', 'V'] |
mp-1178316 | Li19Cu4(HO2)8 | 4 | false | 0.300998 | 0.636604 | -0.868213 | false | -0.906503 | 0.063243 | ['Cu', 'H', 'Li', 'O'] |
mp-1239180 | Li19La12Zr8O48 | 4 | false | -1.17473 | -0.109687 | -0.860426 | false | 0.72759 | 2.0292 | ['La', 'Li', 'O', 'Zr'] |
mp-1178065 | Li19Mn4P8O35F | 5 | true | -0.685338 | 0.096372 | -0.543139 | false | -0.642009 | 0.786586 | ['F', 'Li', 'Mn', 'O', 'P'] |
mp-759194 | Li19Cr4P8O35F | 5 | false | -0.744083 | 0.072374 | 0.465261 | true | -0.629639 | 0.753173 | ['Cr', 'F', 'Li', 'O', 'P'] |
mp-776592 | Li19Mn8C16(SO16)4 | 5 | true | -0.081196 | -0.026054 | -0.799352 | false | -0.763816 | 2.283287 | ['C', 'Li', 'Mn', 'O', 'S'] |
mp-685320 | Li20B54O | 3 | false | 1.879812 | 0.472307 | -0.868213 | false | -1.386342 | 0.872278 | ['B', 'Li', 'O'] |
mp-686230 | Li20Nb19O60 | 3 | false | -0.867812 | -0.234579 | -0.868213 | false | 0.320937 | 5.254979 | ['Li', 'Nb', 'O'] |
mp-705640 | Li20Co21O40 | 3 | true | 0.315546 | 0.239657 | -0.497841 | false | 0.785937 | 0.725018 | ['Co', 'Li', 'O'] |
mp-532301 | Li20(CoO2)21 | 3 | true | 0.280268 | 0.229069 | -0.868213 | false | 0.759133 | 0.772529 | ['Co', 'Li', 'O'] |
mp-685270 | Li20Co21O40 | 3 | true | 0.337674 | 0.245493 | -0.868213 | false | 0.826118 | 0.701367 | ['Co', 'Li', 'O'] |
mp-1097035 | Li20Si3P3S23Cl | 5 | false | 0.771506 | 0.768884 | 0.694255 | true | -1.298788 | 1.648199 | ['Cl', 'Li', 'P', 'S', 'Si'] |
mp-1040451 | Li20Si3P3S23Cl | 5 | false | 0.77678 | 0.770275 | 0.752485 | true | -1.279563 | 1.603068 | ['Cl', 'Li', 'P', 'S', 'Si'] |
mp-1097034 | Li20Si3P3S23Cl | 5 | false | 0.77697 | 0.770325 | 0.738131 | true | -1.290109 | 1.62765 | ['Cl', 'Li', 'P', 'S', 'Si'] |
mp-29720 | Li21Si5 | 2 | false | 1.942836 | 1.30106 | -0.868213 | false | -1.710701 | 3.361557 | ['Li', 'Si'] |
mp-850944 | Li21(Co4O9)2 | 3 | true | 0.294044 | 0.466713 | -0.214273 | false | -0.457453 | 0.177289 | ['Co', 'Li', 'O'] |
mp-530102 | Li21Mo11O32 | 3 | false | -0.149718 | 0.058849 | -0.859614 | false | 0.432076 | 0.630378 | ['Li', 'Mo', 'O'] |
mp-769519 | Li21(FeO4)4 | 3 | true | -0.027302 | 0.447854 | 0.096988 | true | -0.80281 | -0.06282 | ['Fe', 'Li', 'O'] |
mp-850954 | Li21(CoO4)4 | 3 | true | 0.089496 | 0.516493 | -0.449903 | false | -0.748329 | 1.084789 | ['Co', 'Li', 'O'] |
mp-1198729 | Li22Sn5 | 2 | false | 1.80755 | 1.348718 | -0.868213 | false | -0.782534 | 4.308151 | ['Li', 'Sn'] |
mp-1204063 | Li22Ge5 | 2 | false | 1.870452 | 1.332345 | -0.868213 | false | -1.144678 | 3.613827 | ['Ge', 'Li'] |
mp-573651 | Li22Pb5 | 2 | false | 1.873616 | 1.382095 | -0.868213 | false | 0.115565 | 4.573524 | ['Li', 'Pb'] |
mp-542598 | Li22Si5 | 2 | false | 1.97016 | 1.315533 | -0.868213 | false | -1.706038 | 3.445759 | ['Li', 'Si'] |
mp-1212343 | Li22(Cu3Si2)7 | 3 | false | 1.879084 | 0.995726 | -0.835238 | false | 0.197443 | 5.448226 | ['Cu', 'Li', 'Si'] |
mp-1223227 | Li22(VSn)7 | 3 | false | 2.215177 | 1.045782 | -0.868213 | false | -0.206061 | 0.628791 | ['Li', 'Sn', 'V'] |
mp-2272 | Sr6Li23 | 2 | false | 2.178062 | 0.654747 | -0.868213 | false | -1.579217 | 1.126306 | ['Li', 'Sr'] |
mp-705828 | Li23Ni17O40 | 3 | true | 0.504342 | 0.438325 | -0.868213 | false | 0.467578 | 0.698972 | ['Li', 'Ni', 'O'] |
mp-531949 | Li23(MnAs)20 | 3 | true | 1.892781 | 0.561646 | -0.868213 | false | 0.296106 | 1.914593 | ['As', 'Li', 'Mn'] |
mp-1223479 | Li24(I2N)5 | 3 | false | 1.215619 | 1.094953 | -0.451934 | false | -0.516529 | 1.185977 | ['I', 'Li', 'N'] |
mp-768420 | Li24Ti7Cr5O36 | 4 | false | -0.754706 | 0.020052 | -0.015748 | false | -0.214516 | 0.631964 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768397 | Li24Ti5Cr7O36 | 4 | false | -0.626059 | 0.039814 | -0.048858 | false | -0.181427 | 0.616761 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768391 | Li24Ti7Cr5O36 | 4 | false | -0.762557 | 0.017981 | 0.015195 | true | -0.211248 | 0.629304 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768392 | Li24Ti7Cr5O36 | 4 | false | -0.762727 | 0.017936 | 0.025487 | true | -0.212518 | 0.630338 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768421 | Li24Ti5Cr7O36 | 4 | false | -0.623441 | 0.040505 | -0.074723 | false | -0.182108 | 0.617304 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768407 | Li24Ti5Cr7O36 | 4 | false | -0.62547 | 0.039969 | -0.050754 | false | -0.182278 | 0.61744 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768431 | Li24Ti5Cr7O36 | 4 | false | -0.625905 | 0.039855 | -0.037754 | false | -0.182247 | 0.617416 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768398 | Li24Ti5Cr7O36 | 4 | false | -0.626208 | 0.039775 | -0.075739 | false | -0.186844 | 0.621089 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768405 | Li24Ti7Cr5O36 | 4 | false | -0.761931 | 0.018146 | 0.017091 | true | -0.215182 | 0.632507 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768430 | Li24Ti7Cr5O36 | 4 | false | -0.759557 | 0.018772 | 0.008424 | true | -0.206048 | 0.625088 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768406 | Li24Ti7Cr5O36 | 4 | false | -0.759262 | 0.01885 | -0.023738 | false | -0.212881 | 0.630632 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768408 | Li24Ti5Cr7O36 | 4 | false | -0.625388 | 0.039991 | -0.064093 | false | -0.184085 | 0.618882 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768433 | Li24Ti5Cr7O36 | 4 | false | -0.625201 | 0.04004 | -0.057864 | false | -0.18331 | 0.618264 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768842 | Li24Mn5Cr7O36 | 4 | true | -0.259859 | 0.110872 | -0.153673 | false | -0.083037 | 0.588286 | ['Cr', 'Li', 'Mn', 'O'] |
mp-769012 | Li24Mn7Cr5O36 | 4 | true | -0.249867 | 0.117465 | -0.105125 | false | -0.063223 | 0.581208 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768724 | Li24Mn7Cr5O36 | 4 | true | -0.249522 | 0.117556 | -0.123271 | false | -0.060853 | 0.579447 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768825 | Li24Mn5Cr7O36 | 4 | true | -0.25907 | 0.11108 | -0.165861 | false | -0.074072 | 0.581563 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768843 | Li24Mn5Cr7O36 | 4 | true | -0.259048 | 0.111086 | -0.164777 | false | -0.074761 | 0.582078 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768480 | Li24Ti5Cr7O36 | 4 | false | -0.625939 | 0.039846 | -0.034842 | false | -0.187805 | 0.621858 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768841 | Li24Mn7Cr5O36 | 4 | true | -0.249296 | 0.117615 | -0.030441 | false | -0.063449 | 0.581376 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768905 | Li24Mn5Cr7O36 | 4 | true | -0.259327 | 0.111013 | -0.174392 | false | -0.085299 | 0.589991 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768726 | Li24Mn5Cr7O36 | 4 | true | -0.259238 | 0.111036 | -0.145277 | false | -0.071283 | 0.57948 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768449 | Li24Ti7Cr5O36 | 4 | false | -0.762219 | 0.01807 | 0.030159 | true | -0.210447 | 0.628654 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768759 | Li24Mn7Cr5O36 | 4 | true | -0.247993 | 0.117959 | -0.118058 | false | -0.05618 | 0.575984 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768784 | Li24Mn5Cr7O36 | 4 | true | -0.2594 | 0.110993 | -0.168027 | false | -0.075643 | 0.582737 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768929 | Li24Mn7Cr5O36 | 4 | true | -0.249496 | 0.117563 | -0.110542 | false | -0.057971 | 0.57731 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768924 | Li24Mn5Cr7O36 | 4 | true | -0.259375 | 0.111 | -0.165996 | false | -0.07203 | 0.580038 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768925 | Li24Mn7Cr5O36 | 4 | true | -0.245071 | 0.11873 | -0.113589 | false | -0.056909 | 0.576523 | ['Cr', 'Li', 'Mn', 'O'] |
mp-768475 | Li24Ti7Cr5O36 | 4 | false | -0.761513 | 0.018256 | 0.006325 | true | -0.210722 | 0.628877 | ['Cr', 'Li', 'O', 'Ti'] |
mp-768532 | Li24Ti5Cr7O36 | 4 | false | -0.619981 | 0.041417 | -0.868213 | false | -0.177733 | 0.613823 | ['Cr', 'Li', 'O', 'Ti'] |
mp-769037 | Li24Mn5Cr7O36 | 4 | true | -0.258869 | 0.111133 | -0.131193 | false | -0.087102 | 0.591352 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770232 | Li24Mn7Cr5O36 | 4 | true | -0.249725 | 0.117502 | -0.136136 | false | -0.06198 | 0.580284 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770504 | Li24MnCr11O36 | 4 | true | -0.28208 | 0.097097 | -0.251987 | false | -0.108788 | 0.592153 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770985 | Li24MnCr11O36 | 4 | true | -0.27877 | 0.09797 | -0.192674 | false | -0.114755 | 0.596714 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770492 | Li24Mn11CrO36 | 4 | true | -0.231139 | 0.130319 | -0.022316 | false | -0.017514 | 0.562983 | ['Cr', 'Li', 'Mn', 'O'] |
mp-771282 | Li24Ti7Cr5O36 | 4 | false | -0.761782 | 0.018186 | -0.025092 | false | -0.212966 | 0.630702 | ['Cr', 'Li', 'O', 'Ti'] |
mp-771365 | Li24Ti5Cr7O36 | 4 | false | -0.62542 | 0.039983 | -0.054817 | false | -0.184178 | 0.618957 | ['Cr', 'Li', 'O', 'Ti'] |
mp-777641 | Li24Mn7Cr5O36 | 4 | true | -0.250433 | 0.117316 | -0.140673 | false | -0.063018 | 0.581055 | ['Cr', 'Li', 'Mn', 'O'] |
mp-777643 | Li24Mn7Cr5O36 | 4 | true | -0.249999 | 0.11743 | -0.166064 | false | -0.049159 | 0.570806 | ['Cr', 'Li', 'Mn', 'O'] |
mp-777958 | Li24Mn5Cr7O36 | 4 | true | -0.25869 | 0.11118 | -0.27792 | false | -0.084491 | 0.589382 | ['Cr', 'Li', 'Mn', 'O'] |
mp-778112 | Li24Mn5Cr7O36 | 4 | true | -0.259751 | 0.110901 | -0.177439 | false | -0.072447 | 0.580349 | ['Cr', 'Li', 'Mn', 'O'] |
mp-779077 | Li24TiCr11O36 | 4 | false | -0.355625 | 0.082805 | -0.231404 | false | -0.1338 | 0.601876 | ['Cr', 'Li', 'O', 'Ti'] |
mp-779361 | Li24Ti11CrO36 | 4 | false | -1.039132 | -0.026629 | 0.185214 | true | -0.270144 | 0.654762 | ['Cr', 'Li', 'O', 'Ti'] |
mp-780441 | Li24Mn7Cr5O36 | 4 | true | -0.249311 | 0.117611 | -0.189356 | false | -0.058972 | 0.578051 | ['Cr', 'Li', 'Mn', 'O'] |
mp-1178068 | Li24TiCr11O36 | 4 | false | -0.353329 | 0.08341 | -0.21082 | false | -0.109762 | 0.583442 | ['Cr', 'Li', 'O', 'Ti'] |
mp-1178077 | Li24MnCr11O36 | 4 | true | -0.282101 | 0.097091 | -0.188408 | false | -0.103497 | 0.588128 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770668 | Li24Mn11CrO36 | 4 | true | -0.231129 | 0.130322 | -0.020217 | false | -0.014805 | 0.561027 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770622 | Li24Mn11CrO36 | 4 | true | -0.230567 | 0.13047 | -0.034639 | false | -0.015702 | 0.561675 | ['Cr', 'Li', 'Mn', 'O'] |
mp-770669 | Li24Mn11CrO36 | 4 | true | -0.230798 | 0.130409 | 0.002262 | true | -0.018662 | 0.563813 | ['Cr', 'Li', 'Mn', 'O'] |
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