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{
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"results": [
{
"id": "mp-674363",
"created_at": "2022-09-04T14:43:47.431676Z",
"structure_string": "Zr6 Sc8 O24\n1.0\n6.216800 0.000000 0.000000\n-1.035285 6.154970 0.000000\n-2.037608 -2.435766 12.045350\nZr Sc O\n6 8 24\ndirect\n0.139476 0.607364 0.657875 Zr\n0.998414 0.994031 0.999612 Zr\n0.685903 0.868581 0.696172 Zr\n0.314533 0.137515 0.306021 Zr\n0.610090 0.316563 0.068997 Zr\n0.996917 0.995644 0.496500 Zr\n0.140251 0.606790 0.159455 Sc\n0.392783 0.682056 0.931889 Sc\n0.320408 0.146773 0.804680 Sc\n0.393387 0.672125 0.427432 Sc\n0.608023 0.320069 0.570048 Sc\n0.678408 0.856009 0.196495 Sc\n0.861880 0.395651 0.842194 Sc\n0.861994 0.395462 0.340139 Sc\n0.060329 0.679880 0.949828 O\n0.086742 0.935795 0.662187 O\n0.064168 0.675212 0.456118 O\n0.179647 0.421377 0.785382 O\n0.100609 0.939895 0.160256 O\n0.321137 0.099700 0.969850 O\n0.425207 0.822383 0.789175 O\n0.179319 0.416386 0.286860 O\n0.421373 0.577780 0.590594 O\n0.321007 0.101331 0.471172 O\n0.422548 0.820318 0.292435 O\n0.419725 0.573031 0.089561 O\n0.581204 0.423960 0.910171 O\n0.576219 0.180841 0.708277 O\n0.676012 0.901030 0.530171 O\n0.581467 0.418120 0.409576 O\n0.819360 0.584481 0.712286 O\n0.571465 0.177510 0.209932 O\n0.676093 0.911863 0.032183 O\n0.904150 0.062911 0.839307 O\n0.819424 0.579113 0.210913 O\n0.941589 0.318364 0.551456 O\n0.910788 0.060949 0.338049 O\n0.937948 0.323140 0.046753 O\n",
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},
{
"id": "mp-1019774",
"created_at": "2022-09-04T14:43:47.650743Z",
"structure_string": "K8 Ce4 Al4 Si16 O48\n1.0\n3.731158 13.574619 0.000000\n-3.731158 13.574619 0.000000\n0.000000 8.344283 12.592486\nK Ce Al Si O\n8 4 4 16 48\ndirect\n0.804050 0.809669 0.474338 K\n0.809669 0.804050 0.974338 K\n0.195950 0.190331 0.525662 K\n0.190331 0.195950 0.025662 K\n0.204608 0.720869 0.463123 K\n0.720869 0.204608 0.963123 K\n0.795392 0.279131 0.536877 K\n0.279131 0.795392 0.036877 K\n0.018316 0.443415 0.249401 Ce\n0.443415 0.018316 0.749401 Ce\n0.981684 0.556585 0.750599 Ce\n0.556585 0.981684 0.250599 Ce\n0.882604 0.259870 0.271434 Al\n0.259870 0.882604 0.771434 Al\n0.117396 0.740130 0.728566 Al\n0.740130 0.117396 0.228566 Al\n0.368441 0.304702 0.004041 Si\n0.304702 0.368441 0.504041 Si\n0.631559 0.695298 0.995959 Si\n0.695298 0.631559 0.495959 Si\n0.363789 0.321249 0.790420 Si\n0.321249 0.363789 0.290420 Si\n0.636211 0.678751 0.209580 Si\n0.678751 0.636211 0.709580 Si\n0.261075 0.973930 0.341118 Si\n0.973930 0.261075 0.841118 Si\n0.738925 0.026070 0.658882 Si\n0.026070 0.738925 0.158882 Si\n0.675968 0.201256 0.422137 Si\n0.201256 0.675968 0.922137 Si\n0.324032 0.798744 0.577863 Si\n0.798744 0.324032 0.077863 Si\n0.459457 0.760068 0.309313 O\n0.760068 0.459457 0.809313 O\n0.540543 0.239932 0.690687 O\n0.239932 0.540543 0.190687 O\n0.226587 0.949461 0.470498 O\n0.949461 0.226587 0.970498 O\n0.773413 0.050539 0.529502 O\n0.050539 0.773413 0.029502 O\n0.780396 0.073366 0.344555 O\n0.073366 0.780396 0.844555 O\n0.219604 0.926634 0.655445 O\n0.926634 0.219604 0.155445 O\n0.364798 0.446806 0.951320 O\n0.446806 0.364798 0.451320 O\n0.635202 0.553194 0.048680 O\n0.553194 0.635202 0.548680 O\n0.432413 0.236456 0.899846 O\n0.236456 0.432413 0.399846 O\n0.567587 0.763544 0.100154 O\n0.763544 0.567587 0.600154 O\n0.584657 0.837630 0.431789 O\n0.837630 0.584657 0.931789 O\n0.415343 0.162370 0.568211 O\n0.162370 0.415343 0.068211 O\n0.881365 0.458639 0.429887 O\n0.458639 0.881365 0.929887 O\n0.118635 0.541361 0.570113 O\n0.541361 0.118635 0.070113 O\n0.090141 0.060105 0.324328 O\n0.060105 0.090141 0.824328 O\n0.909859 0.939895 0.675672 O\n0.939895 0.909859 0.175672 O\n0.177489 0.552156 0.763912 O\n0.552156 0.177489 0.263912 O\n0.822511 0.447844 0.236088 O\n0.447844 0.822511 0.736088 O\n0.706133 0.310211 0.372085 O\n0.310211 0.706133 0.872085 O\n0.293867 0.689789 0.627915 O\n0.689789 0.293867 0.127915 O\n0.271357 0.101295 0.276584 O\n0.101295 0.271357 0.776584 O\n0.728643 0.898705 0.723416 O\n0.898705 0.728643 0.223416 O\n0.260587 0.297209 0.303634 O\n0.297209 0.260587 0.803634 O\n0.739413 0.702791 0.696366 O\n0.702791 0.739413 0.196366 O\n",
"nsites": 80,
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"elements": [
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],
"chemical_system": "Al-Ce-K-O-Si",
"density": 2.8619755420686706,
"density_atomic": 0.06271583740067269,
"volume": 1275.5948627282767,
"volume_molar": 9.6022647701032,
"formula_full": "K8 Ce4 Al4 Si16 O48",
"formula_reduced": "K2CeAl(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy": -633.32576898,
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"spacegroup": 15
},
{
"id": "mp-752468",
"created_at": "2022-09-04T14:43:47.725587Z",
"structure_string": "Li1 Mn3 O5 F1\n1.0\n5.088667 0.163476 -0.107230\n-2.594609 1.282855 4.653511\n2.405244 -4.329855 0.046997\nLi Mn O F\n1 3 5 1\ndirect\n0.849341 0.602375 0.899503 Li\n0.166063 0.434127 0.125360 Mn\n0.654137 0.981786 0.658457 Mn\n0.355636 0.039201 0.333143 Mn\n0.060721 0.215314 0.413188 O\n0.521626 0.753901 0.289445 O\n0.270165 0.758168 0.950379 O\n0.770479 0.240792 0.032711 O\n0.451917 0.227811 0.724285 O\n0.899914 0.746523 0.573527 F\n",
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"elements": [
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"F"
],
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"density": 4.330727266077644,
"density_atomic": 0.0963257520073226,
"volume": 103.81439845120346,
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"formula_full": "Li1 Mn3 O5 F1",
"formula_reduced": "LiMn3O5F",
"formula_anonymous": "ABC3D5",
"energy": -77.07688332,
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},
{
"id": "mp-1238023",
"created_at": "2022-09-04T14:43:47.816827Z",
"structure_string": "Dy2 Mg2 Se6\n1.0\n6.001634 4.136145 0.000000\n-6.001634 4.136145 0.000000\n0.000000 3.431069 5.801510\nDy Mg Se\n2 2 6\ndirect\n0.779720 0.779720 0.233711 Dy\n0.220280 0.220280 0.766289 Dy\n0.333076 0.666924 0.000000 Mg\n0.666924 0.333076 0.000000 Mg\n0.204613 0.895962 0.195727 Se\n0.795387 0.104038 0.804273 Se\n0.104038 0.795387 0.804273 Se\n0.895962 0.204613 0.195727 Se\n0.580070 0.580070 0.710939 Se\n0.419930 0.419930 0.289061 Se\n",
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"density": 4.88523970829466,
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"volume": 288.02905750474,
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"formula_full": "Dy2 Mg2 Se6",
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"formula_anonymous": "ABC3",
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"spacegroup": 12
},
{
"id": "mp-1184380",
"created_at": "2022-09-04T14:43:47.904887Z",
"structure_string": "Gd2 Zn1 Ag1\n1.0\n0.000000 3.655796 3.655796\n3.655796 0.000000 3.655796\n3.655796 3.655796 0.000000\nGd Zn Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ag\n",
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},
{
"id": "mp-557385",
"created_at": "2022-09-04T14:43:48.563083Z",
"structure_string": "K4 Ru1 N6 O12\n1.0\n7.836571 -3.799423 0.000000\n7.836571 3.799423 0.000000\n5.994488 0.000000 6.317719\nK Ru N O\n4 1 6 12\ndirect\n0.620971 0.620971 0.620971 K\n0.379029 0.379029 0.379029 K\n0.192520 0.192520 0.192520 K\n0.807480 0.807480 0.807480 K\n0.000000 0.000000 0.000000 Ru\n0.307596 0.927394 0.928033 N\n0.928033 0.307596 0.927394 N\n0.072606 0.071967 0.692404 N\n0.927394 0.928033 0.307596 N\n0.071967 0.692404 0.072606 N\n0.692404 0.072606 0.071967 N\n0.857961 0.068125 0.367176 O\n0.068125 0.367176 0.857961 O\n0.632824 0.142039 0.931875 O\n0.043301 0.260553 0.557619 O\n0.739447 0.442381 0.956699 O\n0.142039 0.931875 0.632824 O\n0.956699 0.739447 0.442381 O\n0.442381 0.956699 0.739447 O\n0.367176 0.857961 0.068125 O\n0.557619 0.043301 0.260553 O\n0.260553 0.557619 0.043301 O\n0.931875 0.632824 0.142039 O\n",
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"formula_full": "K4 Ru1 N6 O12",
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},
{
"id": "mp-1253012",
"created_at": "2022-09-04T14:43:47.191619Z",
"structure_string": "Al8 Fe6 O24\n1.0\n2.950053 4.870361 0.000000\n-2.950053 4.870361 0.000000\n0.000000 0.264365 14.096703\nAl Fe O\n8 6 24\ndirect\n0.846595 0.846595 0.956414 Al\n0.503932 0.503932 0.617139 Al\n0.174232 0.174232 0.295594 Al\n0.500955 0.500955 0.997153 Al\n0.827988 0.827988 0.333784 Al\n0.998581 0.998581 0.506199 Al\n0.826302 0.826302 0.713801 Al\n0.153886 0.153886 0.037177 Al\n0.842350 0.331789 0.826848 Fe\n0.499857 0.000029 0.502342 Fe\n0.167939 0.663555 0.166199 Fe\n0.331789 0.842350 0.826848 Fe\n0.000029 0.499857 0.502342 Fe\n0.663555 0.167939 0.166199 Fe\n0.665803 0.665803 0.922235 O\n0.332028 0.332028 0.572681 O\n0.994463 0.994463 0.255937 O\n0.518440 0.518440 0.745871 O\n0.155927 0.155927 0.423091 O\n0.845667 0.845667 0.088401 O\n0.676075 0.191685 0.920577 O\n0.324733 0.835239 0.570944 O\n0.008302 0.516861 0.257836 O\n0.191685 0.676075 0.920577 O\n0.835239 0.324733 0.570944 O\n0.516861 0.008302 0.257836 O\n0.496590 0.989768 0.755696 O\n0.113846 0.691756 0.425284 O\n0.814303 0.326415 0.079159 O\n0.989768 0.496590 0.755696 O\n0.691756 0.113846 0.425284 O\n0.326415 0.814303 0.079159 O\n0.158056 0.158056 0.911074 O\n0.838619 0.838619 0.586230 O\n0.485320 0.485320 0.230368 O\n0.992517 0.992517 0.759721 O\n0.682206 0.682206 0.423824 O\n0.333670 0.333670 0.075398 O\n",
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"formula_full": "Al8 Fe6 O24",
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"spacegroup": 8
},
{
"id": "mp-754269",
"created_at": "2022-09-04T14:43:47.359759Z",
"structure_string": "Nd6 Sb2 O14\n1.0\n3.811095 -5.486574 0.000000\n3.811095 5.486574 0.000000\n0.000000 0.000000 7.739498\nNd Sb O\n6 2 14\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.518242 0.063328 0.250000 Nd\n0.936672 0.481758 0.750000 Nd\n0.481758 0.936672 0.750000 Nd\n0.063328 0.518242 0.250000 Nd\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.439496 0.186817 0.532751 O\n0.813183 0.560504 0.467249 O\n0.439496 0.186817 0.967249 O\n0.813183 0.560504 0.032751 O\n0.560504 0.813183 0.467249 O\n0.186817 0.439496 0.532751 O\n0.560504 0.813183 0.032751 O\n0.186817 0.439496 0.967249 O\n0.151837 0.887946 0.250000 O\n0.112054 0.848163 0.750000 O\n0.848163 0.112054 0.750000 O\n0.887946 0.151837 0.250000 O\n0.420396 0.420396 0.250000 O\n0.579604 0.579604 0.750000 O\n",
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},
{
"id": "mp-998350",
"created_at": "2022-09-04T14:43:47.473742Z",
"structure_string": "Ba1 Zr1 Se3\n1.0\n5.287383 0.000000 0.000000\n0.003576 5.296392 0.000000\n0.007950 0.010054 5.309462\nBa Zr Se\n1 1 3\ndirect\n0.998643 0.998478 0.998673 Ba\n0.476578 0.490069 0.476727 Zr\n0.488317 0.998506 0.502693 Se\n0.983845 0.511636 0.518540 Se\n0.492614 0.501310 0.993370 Se\n",
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