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{
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{
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"structure_string": "U4 F24\n1.0\n5.343395 0.000000 0.000000\n0.000000 9.252419 0.000000\n0.000000 0.000000 10.196895\nU F\n4 24\ndirect\n0.919228 0.750000 0.129972 U\n0.580772 0.750000 0.629972 U\n0.080772 0.250000 0.870028 U\n0.419228 0.250000 0.370028 U\n0.223762 0.750000 0.012808 F\n0.276238 0.750000 0.512808 F\n0.776238 0.250000 0.987192 F\n0.723762 0.250000 0.487192 F\n0.610248 0.750000 0.246425 F\n0.889752 0.750000 0.746425 F\n0.389752 0.250000 0.753575 F\n0.110248 0.250000 0.253575 F\n0.765772 0.593164 0.017335 F\n0.734228 0.906836 0.517335 F\n0.234228 0.093164 0.982665 F\n0.265772 0.406836 0.482665 F\n0.234228 0.406836 0.982665 F\n0.265772 0.093164 0.482665 F\n0.765772 0.906836 0.017335 F\n0.734228 0.593164 0.517335 F\n0.083482 0.598516 0.243720 F\n0.416518 0.901484 0.743720 F\n0.916518 0.098516 0.756280 F\n0.583482 0.401484 0.256280 F\n0.916518 0.401484 0.756280 F\n0.583482 0.098516 0.256280 F\n0.083482 0.901484 0.243720 F\n0.416518 0.598516 0.743720 F\n",
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},
{
"id": "mp-5756",
"created_at": "2022-09-04T14:42:51.453034Z",
"structure_string": "Cu6 P2 Se8\n1.0\n6.430702 0.000000 0.000000\n0.000000 6.729318 0.000000\n0.000000 0.000000 7.753373\nCu P Se\n6 2 8\ndirect\n0.009261 0.823504 0.253917 Cu\n0.509261 0.176496 0.246083 Cu\n0.509261 0.176496 0.753917 Cu\n0.009261 0.823504 0.746083 Cu\n0.997090 0.346527 0.000000 Cu\n0.497090 0.653473 0.500000 Cu\n0.499858 0.671987 0.000000 P\n0.999858 0.328013 0.500000 P\n0.358259 0.320598 0.500000 Se\n0.858259 0.679402 0.000000 Se\n0.874740 0.646701 0.500000 Se\n0.374740 0.353299 0.000000 Se\n0.382405 0.836603 0.243322 Se\n0.882405 0.163397 0.256678 Se\n0.882405 0.163397 0.743322 Se\n0.382405 0.836603 0.756678 Se\n",
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"density": 5.3198387686128505,
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"formula_full": "Cu6 P2 Se8",
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{
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"created_at": "2022-09-04T14:42:53.291913Z",
"structure_string": "Ce4 In2 Pt4\n1.0\n7.855676 0.000000 0.000000\n0.000000 7.855676 0.000000\n0.000000 0.000000 3.763583\nCe In Pt\n4 2 4\ndirect\n0.672516 0.827484 0.500000 Ce\n0.827484 0.327484 0.500000 Ce\n0.327484 0.172516 0.500000 Ce\n0.172516 0.672516 0.500000 Ce\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.631017 0.131017 0.000000 Pt\n0.868983 0.631017 0.000000 Pt\n0.131017 0.368983 0.000000 Pt\n0.368983 0.868983 0.000000 Pt\n",
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"energy": -63.7067327,
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{
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"structure_string": "Nd1 As1\n1.0\n0.000000 3.023318 3.023318\n3.023318 0.000000 3.023318\n3.023318 3.023318 0.000000\nNd As\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 As\n",
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{
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"created_at": "2022-09-04T14:42:56.059577Z",
"structure_string": "Li2 V6 O16\n1.0\n3.629265 0.000000 0.000000\n0.000000 6.837383 0.000000\n0.000000 3.025344 11.550896\nLi V O\n2 6 16\ndirect\n0.250000 0.814419 0.686814 Li\n0.750000 0.185581 0.313186 Li\n0.250000 0.307088 0.537674 V\n0.750000 0.692912 0.462326 V\n0.250000 0.125488 0.080830 V\n0.750000 0.874512 0.919170 V\n0.250000 0.266084 0.807190 V\n0.750000 0.733916 0.192810 V\n0.250000 0.606528 0.459920 O\n0.750000 0.393472 0.540080 O\n0.250000 0.950389 0.927983 O\n0.750000 0.049611 0.072017 O\n0.250000 0.129330 0.673618 O\n0.750000 0.870670 0.326382 O\n0.250000 0.232113 0.189341 O\n0.750000 0.767887 0.810659 O\n0.250000 0.179732 0.437805 O\n0.750000 0.820268 0.562195 O\n0.250000 0.326212 0.951604 O\n0.750000 0.673788 0.048396 O\n0.250000 0.495780 0.722535 O\n0.750000 0.504220 0.277465 O\n0.250000 0.819689 0.174643 O\n0.750000 0.180311 0.825357 O\n",
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{
"id": "mp-14352",
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"structure_string": "K8 Ge8 Sb8 O40\n1.0\n6.705130 0.000000 0.000000\n0.000000 10.945209 0.000000\n0.000000 0.000000 13.467214\nK Ge Sb O\n8 8 8 40\ndirect\n0.773994 0.690558 0.381917 K\n0.296112 0.434639 0.889500 K\n0.203888 0.434639 0.389500 K\n0.703888 0.934639 0.110500 K\n0.273994 0.190558 0.118083 K\n0.726006 0.690558 0.881917 K\n0.226006 0.190558 0.618083 K\n0.796112 0.934639 0.610500 K\n0.681228 0.251532 0.502230 Ge\n0.181228 0.751532 0.997770 Ge\n0.818772 0.251532 0.002230 Ge\n0.511342 0.502836 0.181375 Ge\n0.488658 0.002836 0.818625 Ge\n0.988658 0.502836 0.681375 Ge\n0.318772 0.751532 0.497770 Ge\n0.011342 0.002836 0.318625 Ge\n0.256790 0.755575 0.245179 Sb\n0.743210 0.255575 0.754821 Sb\n0.243210 0.755575 0.745179 Sb\n0.507686 0.000759 0.382414 Sb\n0.492314 0.500759 0.617586 Sb\n0.992314 0.000759 0.882414 Sb\n0.007686 0.500759 0.117586 Sb\n0.756790 0.255575 0.254821 Sb\n0.956114 0.129734 0.779672 O\n0.043886 0.629734 0.220328 O\n0.543886 0.129734 0.279672 O\n0.456114 0.629734 0.720328 O\n0.473051 0.876933 0.274761 O\n0.526949 0.376933 0.725239 O\n0.026949 0.876933 0.774761 O\n0.973051 0.376933 0.225239 O\n0.537969 0.125513 0.735570 O\n0.462031 0.625513 0.264430 O\n0.962031 0.125513 0.235570 O\n0.037969 0.625513 0.764430 O\n0.049287 0.884261 0.229809 O\n0.950712 0.384261 0.770191 O\n0.450713 0.884261 0.729809 O\n0.158987 0.772245 0.600999 O\n0.549288 0.384261 0.270191 O\n0.713366 0.533398 0.101181 O\n0.213366 0.033398 0.398819 O\n0.786634 0.533398 0.601181 O\n0.804763 0.963013 0.393414 O\n0.195237 0.463013 0.606586 O\n0.695237 0.963013 0.893414 O\n0.304763 0.463013 0.106586 O\n0.499896 0.867600 0.485658 O\n0.500104 0.367600 0.514342 O\n0.000104 0.867600 0.985658 O\n0.999896 0.367600 0.014342 O\n0.960290 0.114596 0.996979 O\n0.039710 0.614596 0.003021 O\n0.539710 0.114596 0.496979 O\n0.460290 0.614596 0.503021 O\n0.168650 0.738518 0.389868 O\n0.831350 0.238518 0.610132 O\n0.331350 0.738518 0.889868 O\n0.668650 0.238518 0.110132 O\n0.658987 0.272245 0.899001 O\n0.341013 0.772245 0.100999 O\n0.841013 0.272245 0.399001 O\n0.286634 0.033398 0.898819 O\n",
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{
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"structure_string": "Be6 Fe8 Si6 Te2 O24\n1.0\n8.445122 0.000000 0.000000\n0.000000 8.445122 0.000000\n0.000000 0.000000 8.445122\nBe Fe Si Te O\n6 8 6 2 24\ndirect\n0.500000 0.250000 0.000000 Be\n0.750000 0.000000 0.500000 Be\n0.000000 0.500000 0.250000 Be\n0.000000 0.500000 0.750000 Be\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.314508 0.314508 0.685492 Fe\n0.185492 0.814508 0.814508 Fe\n0.685492 0.314508 0.314508 Fe\n0.314508 0.685492 0.314508 Fe\n0.814508 0.185492 0.814508 Fe\n0.185492 0.185492 0.185492 Fe\n0.685492 0.685492 0.685492 Fe\n0.814508 0.814508 0.185492 Fe\n0.500000 0.000000 0.750000 Si\n0.000000 0.750000 0.500000 Si\n0.000000 0.250000 0.500000 Si\n0.500000 0.000000 0.250000 Si\n0.250000 0.500000 0.000000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.922615 0.358725 0.355929 O\n0.855929 0.858725 0.422615 O\n0.644071 0.922615 0.641275 O\n0.144071 0.141275 0.422615 O\n0.641275 0.355929 0.077385 O\n0.358725 0.644071 0.077385 O\n0.422615 0.144071 0.141275 O\n0.355929 0.922615 0.358725 O\n0.858725 0.577385 0.144071 O\n0.358725 0.355929 0.922615 O\n0.644071 0.077385 0.358725 O\n0.141275 0.422615 0.144071 O\n0.577385 0.855929 0.141275 O\n0.922615 0.641275 0.644071 O\n0.077385 0.641275 0.355929 O\n0.858725 0.422615 0.855929 O\n0.577385 0.144071 0.858725 O\n0.641275 0.644071 0.922615 O\n0.144071 0.858725 0.577385 O\n0.355929 0.077385 0.641275 O\n0.422615 0.855929 0.858725 O\n0.855929 0.141275 0.577385 O\n0.141275 0.577385 0.855929 O\n0.077385 0.358725 0.644071 O\n",
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{
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"formula_full": "K8 In4 Si16 H4 O44",
"formula_reduced": "K2InSi4HO11",
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{
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"created_at": "2022-09-04T14:42:59.453630Z",
"structure_string": "Y2 Sn2 Pt4\n1.0\n2.278831 -3.947051 0.000000\n2.278831 3.947051 0.000000\n0.000000 0.000000 9.171618\nY Sn Pt\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Y\n0.666667 0.333333 0.750000 Y\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.909279 Pt\n0.666667 0.333333 0.090721 Pt\n0.666667 0.333333 0.409279 Pt\n0.333333 0.666667 0.590721 Pt\n",
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{
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"structure_string": "Nb2 Fe2 O8\n1.0\n0.000000 -3.898186 0.000000\n-6.350425 1.949093 0.000000\n2.057429 0.000000 -6.446320\nNb Fe O\n2 2 8\ndirect\n0.100546 0.207848 0.229722 Nb\n0.892698 0.792152 0.770278 Nb\n0.197631 0.397613 0.813620 Fe\n0.800019 0.602387 0.186380 Fe\n0.254469 0.511874 0.144916 O\n0.742595 0.488126 0.855084 O\n0.361267 0.727257 0.797101 O\n0.634009 0.272743 0.202899 O\n0.047932 0.107048 0.864465 O\n0.940884 0.892952 0.135535 O\n0.140104 0.275218 0.511960 O\n0.864886 0.724782 0.488040 O\n",
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"structure_string": "Dy6 Pt8\n1.0\n4.280131 -6.632454 0.000000\n4.280131 6.632454 0.000000\n-5.997463 0.000000 5.132192\nDy Pt\n6 8\ndirect\n0.970656 0.592406 0.720106 Dy\n0.720106 0.970656 0.592406 Dy\n0.592406 0.720106 0.970656 Dy\n0.029344 0.407593 0.279894 Dy\n0.279894 0.029344 0.407594 Dy\n0.407593 0.279894 0.029344 Dy\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.941925 0.774859 0.452818 Pt\n0.452818 0.941925 0.774859 Pt\n0.774859 0.452818 0.941925 Pt\n0.058075 0.225141 0.547182 Pt\n0.547182 0.058075 0.225141 Pt\n0.225141 0.547182 0.058075 Pt\n",
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]
}