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{
"id": "mp-1195978",
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"structure_string": "K8 Pd4 S24 O84\n1.0\n11.667405 0.000000 0.000000\n5.645229 10.226137 0.000000\n3.221959 4.793935 15.831657\nK Pd S O\n8 4 24 84\ndirect\n0.713594 0.095036 0.421972 K\n0.286406 0.904964 0.578028 K\n0.246031 0.105544 0.919719 K\n0.753969 0.894456 0.080281 K\n0.273213 0.580458 0.865107 K\n0.726787 0.419542 0.134893 K\n0.194371 0.408248 0.610874 K\n0.805629 0.591752 0.389126 K\n0.250076 0.234742 0.263707 Pd\n0.749924 0.765258 0.736293 Pd\n0.752580 0.247008 0.764837 Pd\n0.247420 0.752992 0.235163 Pd\n0.964147 0.957069 0.869745 S\n0.035853 0.042931 0.130255 S\n0.484642 0.946663 0.350380 S\n0.515358 0.053337 0.649620 S\n0.012257 0.520255 0.179757 S\n0.987743 0.479745 0.820243 S\n0.536378 0.535076 0.660493 S\n0.463622 0.464924 0.339507 S\n0.548706 0.154513 0.225042 S\n0.451294 0.845487 0.774958 S\n0.146514 0.304558 0.439651 S\n0.853486 0.695442 0.560349 S\n0.056320 0.132015 0.737296 S\n0.943680 0.867985 0.262704 S\n0.692944 0.328726 0.573381 S\n0.307056 0.671274 0.426619 S\n0.532704 0.181334 0.889128 S\n0.467296 0.818666 0.110872 S\n0.652697 0.317912 0.936408 S\n0.347303 0.682088 0.063592 S\n0.034840 0.169103 0.383045 S\n0.965160 0.830897 0.616955 S\n0.177803 0.346906 0.073456 S\n0.822197 0.653094 0.926544 S\n0.142643 0.442436 0.224452 O\n0.857357 0.557564 0.775548 O\n0.085720 0.207055 0.292291 O\n0.914280 0.792945 0.707709 O\n0.662896 0.453605 0.709345 O\n0.337104 0.546395 0.290655 O\n0.924308 0.259617 0.726781 O\n0.075692 0.740383 0.273219 O\n0.769148 0.273599 0.875160 O\n0.230852 0.726401 0.124840 O\n0.000423 0.652480 0.130198 O\n0.999577 0.347520 0.869802 O\n0.258747 0.230850 0.384466 O\n0.741253 0.769150 0.615534 O\n0.051249 0.045392 0.838057 O\n0.948751 0.954608 0.161943 O\n0.367538 0.027508 0.293120 O\n0.632462 0.972492 0.706880 O\n0.852524 0.038541 0.807724 O\n0.147476 0.961459 0.192276 O\n0.574952 0.250069 0.802471 O\n0.425048 0.749931 0.197529 O\n0.548832 0.436973 0.604138 O\n0.451168 0.563027 0.395862 O\n0.563119 0.043505 0.320454 O\n0.436881 0.956495 0.679546 O\n0.770721 0.400425 0.538480 O\n0.229279 0.599575 0.461520 O\n0.245189 0.221439 0.147380 O\n0.754811 0.778561 0.852620 O\n0.411482 0.270008 0.230142 O\n0.588518 0.729992 0.769858 O\n0.031035 0.430764 0.116180 O\n0.968965 0.569236 0.883820 O\n0.043467 0.826744 0.854145 O\n0.956533 0.173256 0.145855 O\n0.901628 0.513364 0.232656 O\n0.098372 0.486636 0.767344 O\n0.417950 0.548219 0.709450 O\n0.582050 0.451781 0.290550 O\n0.641164 0.201662 0.227213 O\n0.358836 0.798338 0.772787 O\n0.154365 0.174299 0.736178 O\n0.845635 0.825701 0.263822 O\n0.542611 0.444724 0.900611 O\n0.457389 0.555276 0.099389 O\n0.237846 0.436666 0.042853 O\n0.762154 0.563334 0.957147 O\n0.702641 0.293370 0.015066 O\n0.297359 0.706630 0.984934 O\n0.540637 0.657341 0.603794 O\n0.459363 0.342659 0.396206 O\n0.019282 0.294239 0.417741 O\n0.980718 0.705761 0.582259 O\n0.567629 0.822472 0.327385 O\n0.432371 0.177528 0.672615 O\n0.098232 0.449658 0.418370 O\n0.901768 0.550342 0.581630 O\n0.743313 0.213269 0.655110 O\n0.256687 0.786731 0.344890 O\n0.147090 0.300836 0.015322 O\n0.852910 0.699164 0.984678 O\n0.076664 0.047395 0.686110 O\n0.923336 0.952605 0.313890 O\n0.901797 0.197696 0.378924 O\n0.098203 0.802304 0.621076 O\n0.925458 0.962360 0.954774 O\n0.074542 0.037640 0.045226 O\n0.657706 0.278019 0.520334 O\n0.342294 0.721981 0.479666 O\n0.124332 0.042405 0.436843 O\n0.875668 0.957595 0.563157 O\n0.456616 0.938821 0.437939 O\n0.543384 0.061179 0.562061 O\n0.607752 0.193610 0.957827 O\n0.392248 0.806390 0.042173 O\n0.181224 0.225259 0.526171 O\n0.818776 0.774741 0.473829 O\n0.393252 0.265302 0.897371 O\n0.606748 0.734698 0.102629 O\n0.579925 0.036620 0.910140 O\n0.420075 0.963380 0.089860 O\n0.566007 0.087292 0.163489 O\n0.433993 0.912708 0.836511 O\n",
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"elements": [
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],
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"formula_full": "K8 Pd4 S24 O84",
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},
{
"id": "mp-867338",
"created_at": "2022-09-04T14:39:07.176916Z",
"structure_string": "Ac1 Cd1 Ag2\n1.0\n0.000000 3.730650 3.730650\n3.730650 0.000000 3.730650\n3.730650 3.730650 0.000000\nAc Cd Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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"formula_full": "Ac1 Cd1 Ag2",
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{
"id": "mp-1228536",
"created_at": "2022-09-04T14:39:07.159609Z",
"structure_string": "Ba6 Ti3 Fe3 O18\n1.0\n2.881170 -4.990332 0.000000\n2.881170 4.990332 0.000000\n0.000000 0.000000 14.197837\nBa Ti Fe O\n6 3 3 18\ndirect\n0.666667 0.333333 0.591114 Ba\n0.333333 0.666667 0.408106 Ba\n0.333333 0.666667 0.090510 Ba\n0.666667 0.333333 0.906040 Ba\n0.000000 0.000000 0.746761 Ba\n0.000000 0.000000 0.251739 Ba\n0.666667 0.333333 0.149645 Ti\n0.000000 0.000000 0.499727 Ti\n0.000000 0.000000 0.994060 Ti\n0.666667 0.333333 0.344740 Fe\n0.333333 0.666667 0.655161 Fe\n0.333333 0.666667 0.846227 Fe\n0.163881 0.327761 0.580152 O\n0.163881 0.836119 0.580152 O\n0.672239 0.836119 0.580152 O\n0.834547 0.669095 0.419879 O\n0.834547 0.165453 0.419879 O\n0.330905 0.165453 0.419879 O\n0.832563 0.665126 0.082948 O\n0.832563 0.167437 0.082948 O\n0.334874 0.167437 0.082948 O\n0.162660 0.325321 0.922541 O\n0.162660 0.837340 0.922541 O\n0.674679 0.837340 0.922541 O\n0.484305 0.968609 0.747751 O\n0.484305 0.515695 0.747751 O\n0.031391 0.515695 0.747751 O\n0.517849 0.035699 0.252503 O\n0.517849 0.482151 0.252503 O\n0.964301 0.482151 0.252503 O\n",
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{
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"structure_string": "Fe6 N2\n1.0\n2.329385 -4.034613 0.000000\n2.329385 4.034613 0.000000\n0.000000 0.000000 4.322224\nFe N\n6 2\ndirect\n0.673179 0.673179 0.000000 Fe\n0.000000 0.673179 0.500000 Fe\n0.673179 0.000000 0.500000 Fe\n0.326821 0.326821 0.500000 Fe\n0.000000 0.326821 0.000000 Fe\n0.326821 0.000000 0.000000 Fe\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
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{
"id": "mp-1213240",
"created_at": "2022-09-04T14:39:07.177521Z",
"structure_string": "Mg8 Al16 Si8 O40\n1.0\n0.000000 0.000000 -5.447895\n-7.995336 -12.290773 0.000000\n-7.995336 12.290773 0.000000\nMg Al Si O\n8 16 8 40\ndirect\n0.780773 0.739399 0.040878 Mg\n0.780773 0.260601 0.959122 Mg\n0.219227 0.959122 0.260601 Mg\n0.719227 0.760601 0.459122 Mg\n0.219227 0.040878 0.739399 Mg\n0.719227 0.239399 0.540878 Mg\n0.280773 0.540878 0.239399 Mg\n0.280773 0.459122 0.760601 Mg\n0.699738 0.482980 0.581200 Al\n0.699738 0.517020 0.418800 Al\n0.300262 0.418800 0.517020 Al\n0.800262 0.017020 0.918800 Al\n0.300262 0.581200 0.482980 Al\n0.800262 0.982980 0.081200 Al\n0.199738 0.081200 0.982980 Al\n0.199738 0.918800 0.017020 Al\n0.743862 0.559949 0.097770 Al\n0.743862 0.440051 0.902230 Al\n0.256138 0.902230 0.440051 Al\n0.756138 0.940051 0.402230 Al\n0.256138 0.097770 0.559949 Al\n0.756138 0.059949 0.597770 Al\n0.243862 0.597770 0.059949 Al\n0.243862 0.402230 0.940051 Al\n0.879503 0.583238 0.799736 Si\n0.879503 0.416762 0.200264 Si\n0.120497 0.200264 0.416762 Si\n0.620497 0.916762 0.700264 Si\n0.120497 0.799736 0.583238 Si\n0.620497 0.083238 0.299736 Si\n0.379503 0.299736 0.083238 Si\n0.379503 0.700264 0.916762 Si\n0.877413 0.560233 0.684134 O\n0.877413 0.439767 0.315866 O\n0.122587 0.315866 0.439767 O\n0.622587 0.939767 0.815866 O\n0.122587 0.684134 0.560233 O\n0.622587 0.060233 0.184134 O\n0.377413 0.184134 0.060233 O\n0.377413 0.815866 0.939767 O\n0.648285 0.648652 0.866196 O\n0.648285 0.351348 0.133804 O\n0.351715 0.133804 0.351348 O\n0.851715 0.851348 0.633804 O\n0.351715 0.866196 0.648652 O\n0.851715 0.148652 0.366196 O\n0.148285 0.366196 0.148652 O\n0.148285 0.633804 0.851348 O\n0.947736 0.659112 0.099844 O\n0.947736 0.340888 0.900156 O\n0.052264 0.900156 0.340888 O\n0.552264 0.840888 0.400156 O\n0.052264 0.099844 0.659112 O\n0.552264 0.159112 0.599844 O\n0.447736 0.599844 0.159112 O\n0.447736 0.400156 0.840888 O\n0.890868 0.850519 0.016548 O\n0.890868 0.149481 0.983452 O\n0.109132 0.983452 0.149481 O\n0.609132 0.649481 0.483452 O\n0.109132 0.016548 0.850519 O\n0.609132 0.350519 0.516548 O\n0.390868 0.516548 0.350519 O\n0.390868 0.483452 0.649481 O\n0.909468 0.475515 0.811042 O\n0.909468 0.524485 0.188958 O\n0.090532 0.188958 0.524485 O\n0.590532 0.024485 0.688958 O\n0.090532 0.811042 0.475515 O\n0.590532 0.975515 0.311042 O\n0.409468 0.311042 0.975515 O\n0.409468 0.688958 0.024485 O\n",
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{
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{
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"structure_string": "Rb3 Nb1 O8\n1.0\n-3.603321 3.603321 4.127385\n3.603321 -3.603321 4.127385\n3.603321 3.603321 -4.127385\nRb Nb O\n3 1 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.000000 0.000000 0.000000 Nb\n0.317709 0.317709 0.271893 O\n0.954184 0.682291 0.000000 O\n0.682291 0.954184 0.000000 O\n0.045816 0.045816 0.728107 O\n0.815892 0.815892 0.590337 O\n0.774445 0.184108 0.000000 O\n0.184108 0.774445 0.000000 O\n0.225555 0.225555 0.409663 O\n",
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