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{
"id": "mp-646321",
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"structure_string": "Lu10 In8 Ni4\n1.0\n3.531725 0.000000 0.000000\n0.000000 7.880453 0.000000\n0.000000 0.000000 17.666416\nLu In Ni\n10 8 4\ndirect\n0.000000 0.883996 0.088069 Lu\n0.000000 0.754597 0.279350 Lu\n0.000000 0.745403 0.779350 Lu\n0.000000 0.383996 0.411931 Lu\n0.000000 0.116004 0.911931 Lu\n0.000000 0.245403 0.720650 Lu\n0.000000 0.500000 0.000000 Lu\n0.000000 0.254597 0.220650 Lu\n0.000000 0.616004 0.588069 Lu\n0.000000 0.000000 0.500000 Lu\n0.500000 0.206349 0.067774 In\n0.500000 0.424868 0.848070 In\n0.500000 0.575132 0.151930 In\n0.500000 0.075132 0.348070 In\n0.500000 0.924868 0.651930 In\n0.500000 0.793651 0.932226 In\n0.500000 0.706349 0.432226 In\n0.500000 0.293651 0.567774 In\n0.500000 0.975876 0.196463 Ni\n0.500000 0.024124 0.803537 Ni\n0.500000 0.524124 0.696463 Ni\n0.500000 0.475876 0.303537 Ni\n",
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{
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{
"id": "mp-1374388",
"created_at": "2022-09-04T14:42:38.107980Z",
"structure_string": "Li8 V6 Cr2 O16\n1.0\n5.177037 0.000000 0.000000\n-1.734456 5.726402 0.000000\n-0.863232 -3.371135 10.205674\nLi V Cr O\n8 6 2 16\ndirect\n0.875911 0.563506 0.126308 Li\n0.126940 0.938990 0.873135 Li\n0.624151 0.185591 0.374117 Li\n0.375849 0.814409 0.625883 Li\n0.873060 0.061010 0.126865 Li\n0.124089 0.436494 0.873692 Li\n0.627052 0.691161 0.373558 Li\n0.372948 0.308839 0.626442 Li\n0.498526 0.749573 0.000095 V\n0.249987 0.375461 0.250258 V\n0.000000 0.000000 0.500000 V\n0.501474 0.250427 0.999905 V\n0.750013 0.624539 0.749742 V\n0.000000 0.500000 0.500000 V\n0.250843 0.876920 0.250124 Cr\n0.749157 0.123080 0.749876 Cr\n0.705753 0.155101 0.566072 O\n0.291997 0.339644 0.435944 O\n0.205654 0.408977 0.064944 O\n0.794346 0.591023 0.935056 O\n0.038904 0.962476 0.688190 O\n0.455893 0.787908 0.814368 O\n0.961096 0.037524 0.311810 O\n0.544107 0.212092 0.185632 O\n0.708003 0.660356 0.564056 O\n0.294247 0.844899 0.433928 O\n0.208610 0.910426 0.065449 O\n0.791390 0.089574 0.934551 O\n0.460624 0.286044 0.812575 O\n0.956760 0.541029 0.315811 O\n0.043240 0.458971 0.684189 O\n0.539376 0.713956 0.187425 O\n",
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"formula_full": "Li8 V6 Cr2 O16",
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{
"id": "mp-22228",
"created_at": "2022-09-04T14:42:38.157370Z",
"structure_string": "Dy4 Co4 Sn4\n1.0\n4.581509 0.000000 0.000000\n0.000000 7.234645 0.000000\n0.000000 0.000000 7.356528\nDy Co Sn\n4 4 4\ndirect\n0.750000 0.698547 0.525514 Dy\n0.250000 0.301453 0.474486 Dy\n0.750000 0.801453 0.025514 Dy\n0.250000 0.198547 0.974486 Dy\n0.250000 0.942332 0.648116 Co\n0.750000 0.442332 0.851884 Co\n0.250000 0.557668 0.148116 Co\n0.750000 0.057668 0.351884 Co\n0.750000 0.389161 0.202867 Sn\n0.250000 0.889161 0.297133 Sn\n0.750000 0.110839 0.702867 Sn\n0.250000 0.610839 0.797133 Sn\n",
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"formula_full": "Dy4 Co4 Sn4",
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"spacegroup": 62
},
{
"id": "mp-1177849",
"created_at": "2022-09-04T14:42:38.165704Z",
"structure_string": "Li2 Ti1 Cr3 O8\n1.0\n5.914990 -0.030347 -0.021458\n2.931214 5.137705 -0.021458\n2.931214 1.692338 4.851028\nLi Ti Cr O\n2 1 3 8\ndirect\n0.125446 0.125446 0.125446 Li\n0.874554 0.874554 0.874554 Li\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.262858 0.262858 0.262858 O\n0.264098 0.264098 0.712048 O\n0.264098 0.712048 0.264098 O\n0.712048 0.264098 0.264098 O\n0.287952 0.735902 0.735902 O\n0.735902 0.287952 0.735902 O\n0.735902 0.735902 0.287952 O\n0.737142 0.737142 0.737143 O\n",
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"elements": [
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],
"chemical_system": "Cr-Li-O-Ti",
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"formula_full": "Li2 Ti1 Cr3 O8",
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},
{
"id": "mp-558301",
"created_at": "2022-09-04T14:42:38.176554Z",
"structure_string": "Si16 O32\n1.0\n9.395945 9.672564 0.000000\n-9.395945 9.672564 0.000000\n0.000000 0.696696 5.406911\nSi O\n16 32\ndirect\n0.057096 0.440521 0.421193 Si\n0.245829 0.397378 0.139950 Si\n0.441605 0.441605 0.959374 Si\n0.559479 0.942904 0.578807 Si\n0.397378 0.245829 0.139950 Si\n0.602622 0.754171 0.860050 Si\n0.058654 0.058654 0.036379 Si\n0.250512 0.099743 0.209221 Si\n0.942904 0.559479 0.578807 Si\n0.749488 0.900257 0.790779 Si\n0.558395 0.558395 0.040626 Si\n0.754171 0.602622 0.860050 Si\n0.440521 0.057096 0.421193 Si\n0.900257 0.749488 0.790779 Si\n0.099743 0.250512 0.209221 Si\n0.941346 0.941346 0.963621 Si\n0.173943 0.462822 0.325182 O\n0.482281 0.482281 0.217571 O\n0.173632 0.173632 0.366802 O\n0.033862 0.323406 0.389686 O\n0.826057 0.537178 0.674818 O\n0.322837 0.322837 0.294892 O\n0.462822 0.173943 0.325182 O\n0.326405 0.170004 0.014249 O\n0.034411 0.177700 0.064790 O\n0.323406 0.033862 0.389686 O\n0.535972 0.678886 0.059955 O\n0.517719 0.517719 0.782429 O\n0.464028 0.321114 0.940045 O\n0.018685 0.018685 0.782779 O\n0.829996 0.673595 0.985751 O\n0.976341 0.523552 0.296992 O\n0.965589 0.822300 0.935210 O\n0.177700 0.034411 0.064790 O\n0.476448 0.023659 0.703008 O\n0.673595 0.829996 0.985751 O\n0.537178 0.826057 0.674818 O\n0.678886 0.535972 0.059955 O\n0.321114 0.464028 0.940045 O\n0.677163 0.677163 0.705108 O\n0.523552 0.976341 0.296992 O\n0.966138 0.676594 0.610314 O\n0.023659 0.476448 0.703008 O\n0.822300 0.965589 0.935210 O\n0.170004 0.326405 0.014249 O\n0.826368 0.826368 0.633198 O\n0.676594 0.966138 0.610314 O\n0.981315 0.981315 0.217221 O\n",
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{
"id": "mp-557989",
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"structure_string": "K12 Sb20 O56\n1.0\n7.277959 0.000000 0.000000\n0.000000 7.461433 0.000000\n0.000000 0.000000 24.689668\nK Sb O\n12 20 56\ndirect\n0.103504 0.010745 0.383159 K\n0.722831 0.969804 0.484823 K\n0.616032 0.496137 0.205807 K\n0.396496 0.010745 0.883159 K\n0.883968 0.496137 0.705807 K\n0.896496 0.010745 0.616841 K\n0.603504 0.010745 0.116841 K\n0.222831 0.969804 0.015177 K\n0.777169 0.969804 0.984823 K\n0.277169 0.969804 0.515177 K\n0.383968 0.496137 0.794193 K\n0.116032 0.496137 0.294193 K\n0.175161 0.986607 0.756138 Sb\n0.582553 0.487335 0.942947 Sb\n0.824839 0.986607 0.243862 Sb\n0.390379 0.752008 0.645166 Sb\n0.082553 0.487335 0.557053 Sb\n0.609621 0.752008 0.354834 Sb\n0.675161 0.986607 0.743862 Sb\n0.109621 0.752008 0.145166 Sb\n0.890379 0.752008 0.854834 Sb\n0.109003 0.223140 0.145436 Sb\n0.405895 0.486635 0.437722 Sb\n0.890997 0.223140 0.854564 Sb\n0.917447 0.487335 0.442947 Sb\n0.390997 0.223140 0.645436 Sb\n0.417447 0.487335 0.057053 Sb\n0.905895 0.486635 0.062278 Sb\n0.324839 0.986607 0.256138 Sb\n0.094105 0.486635 0.937722 Sb\n0.594105 0.486635 0.562278 Sb\n0.609003 0.223140 0.354564 Sb\n0.660771 0.484786 0.094008 O\n0.739007 0.211891 0.788461 O\n0.622367 0.172012 0.685365 O\n0.239007 0.211891 0.711539 O\n0.839229 0.484786 0.594008 O\n0.953216 0.230614 0.074112 O\n0.435071 0.984857 0.781538 O\n0.837913 0.687135 0.397248 O\n0.453216 0.230614 0.425888 O\n0.660406 0.487279 0.482373 O\n0.160900 0.292179 0.604605 O\n0.761703 0.760754 0.288710 O\n0.027248 0.487683 0.142578 O\n0.935071 0.984857 0.718462 O\n0.377633 0.172012 0.314635 O\n0.238297 0.760754 0.711290 O\n0.839100 0.292179 0.395395 O\n0.046784 0.230614 0.925888 O\n0.339100 0.292179 0.104605 O\n0.047463 0.743313 0.926313 O\n0.160771 0.484786 0.405992 O\n0.472752 0.487683 0.642578 O\n0.682115 0.987824 0.380677 O\n0.546784 0.230614 0.574112 O\n0.839594 0.487279 0.982373 O\n0.527248 0.487683 0.357422 O\n0.260993 0.211891 0.211539 O\n0.339229 0.484786 0.905992 O\n0.621629 0.802594 0.685185 O\n0.122367 0.172012 0.814635 O\n0.121629 0.802594 0.814815 O\n0.452537 0.743313 0.426313 O\n0.000000 0.308165 0.500000 O\n0.878371 0.802594 0.185185 O\n0.160406 0.487279 0.017627 O\n0.500000 0.666381 0.000000 O\n0.564929 0.984857 0.218462 O\n0.162087 0.687135 0.602752 O\n0.972752 0.487683 0.857422 O\n0.378371 0.802594 0.314815 O\n0.660900 0.292179 0.895395 O\n0.547463 0.743313 0.573687 O\n0.182115 0.987824 0.119323 O\n0.000000 0.666381 0.500000 O\n0.877633 0.172012 0.185365 O\n0.500000 0.308165 0.000000 O\n0.738297 0.760754 0.788710 O\n0.952537 0.743313 0.073687 O\n0.339594 0.487279 0.517627 O\n0.064929 0.984857 0.281538 O\n0.317885 0.987824 0.619323 O\n0.662087 0.687135 0.897248 O\n0.760993 0.211891 0.288461 O\n0.337913 0.687135 0.102752 O\n0.261703 0.760754 0.211290 O\n0.817885 0.987824 0.880677 O\n",
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{
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"structure_string": "Ca4 Cr6 O16\n1.0\n3.006782 -5.207900 0.000000\n3.006782 5.207900 0.000000\n0.000000 0.000000 10.562093\nCa Cr O\n4 6 16\ndirect\n0.666667 0.333333 0.023107 Ca\n0.333333 0.666667 0.523107 Ca\n0.666667 0.333333 0.430806 Ca\n0.333333 0.666667 0.930806 Ca\n0.672631 0.836316 0.245490 Cr\n0.836316 0.163684 0.745490 Cr\n0.163684 0.327369 0.245490 Cr\n0.836316 0.672631 0.745490 Cr\n0.327369 0.163684 0.745490 Cr\n0.163684 0.836316 0.245490 Cr\n0.844662 0.155338 0.157716 O\n0.689324 0.844662 0.657716 O\n0.155338 0.310676 0.657716 O\n0.844662 0.689324 0.157716 O\n0.310676 0.155338 0.157716 O\n0.155338 0.844662 0.657716 O\n0.523526 0.476474 0.846931 O\n0.047052 0.523526 0.346931 O\n0.476474 0.952948 0.346931 O\n0.523526 0.047052 0.846931 O\n0.000000 0.000000 0.345469 O\n0.000000 0.000000 0.845469 O\n0.333333 0.666667 0.143708 O\n0.952948 0.476474 0.846931 O\n0.476474 0.523526 0.346931 O\n0.666667 0.333333 0.643708 O\n",
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{
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{
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{
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