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{
"id": "mp-14691",
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"structure_string": "Na4 Er4 P16 O48\n1.0\n13.200633 0.000000 0.000000\n0.000000 7.250637 0.000000\n0.000000 7.162484 9.765318\nNa Er P O\n4 4 16 48\ndirect\n0.223542 0.560907 0.939499 Na\n0.276458 0.560907 0.439499 Na\n0.776458 0.439093 0.060501 Na\n0.723542 0.439093 0.560501 Na\n0.722133 0.033221 0.478315 Er\n0.222133 0.966779 0.021685 Er\n0.277867 0.966779 0.521685 Er\n0.777867 0.033221 0.978315 Er\n0.115014 0.391099 0.235542 P\n0.396015 0.495293 0.255243 P\n0.103985 0.495293 0.755243 P\n0.603985 0.504707 0.744757 P\n0.615014 0.608901 0.264458 P\n0.896015 0.504707 0.244757 P\n0.384986 0.391099 0.735542 P\n0.884986 0.608901 0.764458 P\n0.627179 0.845477 0.801186 P\n0.093317 0.940339 0.292932 P\n0.406683 0.940339 0.792932 P\n0.906683 0.059661 0.707068 P\n0.127179 0.154523 0.698814 P\n0.372821 0.154523 0.198814 P\n0.872821 0.845477 0.301186 P\n0.593317 0.059661 0.207068 P\n0.650655 0.395491 0.396778 O\n0.150655 0.604509 0.103222 O\n0.349345 0.604509 0.603222 O\n0.849345 0.395491 0.896778 O\n0.663710 0.148824 0.088175 O\n0.163710 0.851176 0.411825 O\n0.336290 0.851176 0.911825 O\n0.836290 0.148824 0.588175 O\n0.833629 0.291710 0.301459 O\n0.333629 0.708290 0.198541 O\n0.166371 0.708290 0.698541 O\n0.666371 0.291710 0.801459 O\n0.885023 0.691073 0.093884 O\n0.385023 0.308927 0.406116 O\n0.114977 0.308927 0.906116 O\n0.614977 0.691073 0.593884 O\n0.614731 0.121695 0.303138 O\n0.792647 0.832972 0.393247 O\n0.114731 0.878305 0.196862 O\n0.885269 0.121695 0.803138 O\n0.865799 0.020898 0.149172 O\n0.365799 0.979102 0.350828 O\n0.134201 0.979102 0.850828 O\n0.634201 0.020898 0.649172 O\n0.518939 0.857460 0.857970 O\n0.018939 0.142540 0.642030 O\n0.481061 0.142540 0.142030 O\n0.981061 0.857460 0.357970 O\n0.987995 0.569456 0.712073 O\n0.487995 0.430544 0.787927 O\n0.012005 0.430544 0.287927 O\n0.512005 0.569456 0.212073 O\n0.626037 0.592408 0.837154 O\n0.126037 0.407592 0.662846 O\n0.373963 0.407592 0.162846 O\n0.873963 0.592408 0.337154 O\n0.918165 0.784252 0.798863 O\n0.418165 0.215748 0.701137 O\n0.081835 0.215748 0.201137 O\n0.581835 0.784252 0.298863 O\n0.814107 0.723725 0.645059 O\n0.314107 0.276275 0.854941 O\n0.185893 0.276275 0.354941 O\n0.685893 0.723725 0.145059 O\n0.707353 0.832972 0.893247 O\n0.207353 0.167028 0.606753 O\n0.292647 0.167028 0.106753 O\n0.385269 0.878305 0.696862 O\n",
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"formula_full": "Na4 Er4 P16 O48",
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},
{
"id": "mp-1520374",
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"structure_string": "K1 Tb1 Sn1 W1 O6\n1.0\n-0.000000 -4.201341 -4.201341\n4.201341 -0.000000 -4.201341\n4.201341 -4.201341 -0.000000\nK Tb Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n-0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.732207 0.267793 0.267793 O\n0.267793 0.732207 0.732207 O\n0.732207 0.267793 0.732207 O\n0.267793 0.732207 0.267793 O\n0.732207 0.732207 0.267793 O\n0.267793 0.267793 0.732207 O\n",
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"density_atomic": 0.06742271043839838,
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"formula_full": "K1 Tb1 Sn1 W1 O6",
"formula_reduced": "KTbSnWO6",
"formula_anonymous": "ABCDE6",
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{
"id": "mp-754656",
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"structure_string": "Li2 Mn2 O4\n1.0\n-2.756215 1.434858 -0.015106\n-2.744379 -4.281834 -0.008408\n0.381912 1.422713 4.904634\nLi Mn O\n2 2 4\ndirect\n0.999999 0.499999 0.500000 Li\n0.499999 0.999999 0.500000 Li\n0.500000 0.500002 0.000000 Mn\n0.000003 0.000001 0.000001 Mn\n0.524537 0.252215 0.231730 O\n0.024536 0.752214 0.231733 O\n0.475463 0.747784 0.768269 O\n0.975463 0.247785 0.768266 O\n",
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{
"id": "mp-1206894",
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{
"id": "mp-1235680",
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"structure_string": "Li1 Zn2 Ag1 W1 O6\n1.0\n2.913164 -3.414987 -3.499463\n0.003395 6.753875 -0.021814\n0.227444 0.019428 7.198733\nLi Zn Ag W O\n1 2 1 1 6\ndirect\n0.489110 0.476296 0.992588 Li\n0.075949 0.472668 0.237717 Zn\n0.916855 0.491422 0.761062 Zn\n0.997207 0.977142 0.499454 Ag\n0.996164 0.981270 0.999534 W\n0.308771 0.165513 0.386773 O\n0.684220 0.794761 0.611806 O\n0.035087 0.292278 0.983024 O\n0.443878 0.721711 0.864504 O\n0.546742 0.239759 0.132305 O\n0.955706 0.668840 0.014905 O\n",
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"formula_full": "Li1 Zn2 Ag1 W1 O6",
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{
"id": "mp-754159",
"created_at": "2022-09-04T14:47:09.608524Z",
"structure_string": "Na4 Mn2 S4 O16\n1.0\n5.111029 4.119033 -0.136434\n-5.111005 4.119006 0.136437\n-3.897910 -0.000008 8.070180\nNa Mn S O\n4 2 4 16\ndirect\n0.309228 0.587961 0.559491 Na\n0.587961 0.309211 0.940520 Na\n0.412076 0.690840 0.059484 Na\n0.690839 0.412082 0.440531 Na\n0.078988 0.079049 0.250004 Mn\n0.920720 0.920725 0.749981 Mn\n0.024073 0.396827 0.820322 S\n0.603145 0.975972 0.320323 S\n0.396831 0.024074 0.679680 S\n0.975975 0.603150 0.179673 S\n0.285191 0.974292 0.810624 O\n0.025769 0.714715 0.310677 O\n0.974299 0.285203 0.689367 O\n0.714729 0.025755 0.189325 O\n0.239608 0.960190 0.532495 O\n0.039868 0.760449 0.032527 O\n0.960174 0.239600 0.967494 O\n0.760456 0.039872 0.467471 O\n0.261269 0.473796 0.866558 O\n0.526260 0.738761 0.366582 O\n0.473810 0.261268 0.633457 O\n0.738762 0.526252 0.133420 O\n0.585316 0.887474 0.755325 O\n0.112525 0.414640 0.255260 O\n0.887479 0.585321 0.744675 O\n0.414648 0.112521 0.244733 O\n",
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{
"id": "mp-1020024",
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"structure_string": "Li24 B16 O36\n1.0\n23.650458 0.000000 0.000000\n0.000000 3.393815 0.000000\n0.000000 2.991644 9.262002\nLi B O\n24 16 36\ndirect\n0.118638 0.629923 0.178840 Li\n0.381362 0.629923 0.678840 Li\n0.881362 0.370077 0.821160 Li\n0.618638 0.370077 0.321160 Li\n0.942509 0.139743 0.541320 Li\n0.557491 0.139743 0.041320 Li\n0.057491 0.860257 0.458680 Li\n0.442509 0.860257 0.958680 Li\n0.958183 0.751334 0.989618 Li\n0.541817 0.751334 0.489618 Li\n0.041817 0.248666 0.010382 Li\n0.458183 0.248666 0.510382 Li\n0.143365 0.342280 0.478791 Li\n0.356635 0.342280 0.978791 Li\n0.856635 0.657720 0.521209 Li\n0.643365 0.657720 0.021209 Li\n0.204248 0.682960 0.649067 Li\n0.295752 0.682960 0.149067 Li\n0.795752 0.317040 0.350933 Li\n0.704248 0.317040 0.850933 Li\n0.206264 0.119322 0.197278 Li\n0.293736 0.119322 0.697278 Li\n0.793736 0.880678 0.802722 Li\n0.706264 0.880678 0.302722 Li\n0.977189 0.504743 0.737717 B\n0.522811 0.504743 0.237717 B\n0.022811 0.495257 0.262283 B\n0.477189 0.495257 0.762283 B\n0.086454 0.621873 0.703310 B\n0.413546 0.621873 0.203310 B\n0.913546 0.378127 0.296690 B\n0.586454 0.378127 0.796690 B\n0.148037 0.370356 0.935247 B\n0.351963 0.370356 0.435247 B\n0.851963 0.629644 0.064753 B\n0.648037 0.629644 0.564753 B\n0.256746 0.409992 0.917056 B\n0.243254 0.409992 0.417056 B\n0.743254 0.590008 0.082944 B\n0.756746 0.590008 0.582944 B\n0.973772 0.341279 0.882691 O\n0.526228 0.341279 0.382691 O\n0.026228 0.658721 0.117309 O\n0.473772 0.658721 0.617309 O\n0.931751 0.545161 0.645750 O\n0.568249 0.545161 0.145750 O\n0.068249 0.454839 0.354250 O\n0.431751 0.454839 0.854250 O\n0.028919 0.670625 0.663799 O\n0.471081 0.670625 0.163799 O\n0.971081 0.329375 0.336201 O\n0.528919 0.329375 0.836201 O\n0.124149 0.742686 0.594778 O\n0.375851 0.742686 0.094778 O\n0.875851 0.257314 0.405222 O\n0.624149 0.257314 0.905222 O\n0.098421 0.447620 0.849598 O\n0.401579 0.447620 0.349598 O\n0.901579 0.552380 0.150402 O\n0.598421 0.552380 0.650402 O\n0.199392 0.468467 0.862284 O\n0.300608 0.468467 0.362284 O\n0.800608 0.531533 0.137716 O\n0.699392 0.531533 0.637716 O\n0.140061 0.212813 0.078044 O\n0.359939 0.212813 0.578044 O\n0.859939 0.787187 0.921956 O\n0.640061 0.787187 0.421956 O\n0.297563 0.519360 0.812152 O\n0.202437 0.519360 0.312152 O\n0.702437 0.480640 0.187848 O\n0.797563 0.480640 0.687848 O\n0.268323 0.259038 0.060533 O\n0.231677 0.259038 0.560533 O\n0.731677 0.740962 0.939467 O\n0.768323 0.740962 0.439467 O\n",
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"formula_full": "Li24 B16 O36",
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{
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"structure_string": "Li1 Mg14 B1 O15\n1.0\n8.601828 0.000000 0.000000\n0.000000 8.354136 0.000000\n0.000000 0.000000 4.278943\nLi Mg B O\n1 14 1 15\ndirect\n0.991169 -0.000000 -0.000000 Li\n0.502477 -0.000000 -0.000000 Mg\n0.501974 0.500000 -0.000000 Mg\n0.000184 0.259401 0.500000 Mg\n0.000184 0.740599 0.500000 Mg\n0.500851 0.249024 0.500000 Mg\n0.500851 0.750976 0.500000 Mg\n0.240122 -0.000000 0.500000 Mg\n0.241261 0.500000 0.500000 Mg\n0.758347 -0.000000 0.500000 Mg\n0.753493 0.500000 0.500000 Mg\n0.249570 0.262691 0.000000 Mg\n0.249570 0.737309 -0.000000 Mg\n0.750395 0.244182 0.000000 Mg\n0.750395 0.755818 -0.000000 Mg\n0.944136 0.500000 -0.000000 B\n0.274854 0.500000 -0.000000 O\n0.755199 -0.000000 -0.000000 O\n0.770013 0.500000 -0.000000 O\n0.246871 0.253015 0.500000 O\n0.246871 0.746985 0.500000 O\n0.754225 0.249804 0.500000 O\n0.754225 0.750196 0.500000 O\n0.999539 -0.000000 0.500000 O\n0.990254 0.500000 0.500000 O\n0.502693 -0.000000 0.500000 O\n0.513924 0.500000 0.500000 O\n0.994442 0.329427 0.000000 O\n0.994442 0.670573 -0.000000 O\n0.508735 0.250967 -0.000000 O\n0.508735 0.749033 -0.000000 O\n",
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{
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{
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{
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{
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}