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{
"id": "mp-1215530",
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{
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{
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"structure_string": "Li8 Cu8 C8 O28\n1.0\n5.687543 0.000000 0.000000\n0.000000 10.107515 0.000000\n0.000000 3.754678 9.387156\nLi Cu C O\n8 8 8 28\ndirect\n0.283900 0.026339 0.377177 Li\n0.936125 0.248480 0.519004 Li\n0.436125 0.251520 0.480996 Li\n0.216100 0.526339 0.377177 Li\n0.783900 0.473661 0.622823 Li\n0.563875 0.748480 0.519004 Li\n0.063875 0.751520 0.480996 Li\n0.716100 0.973661 0.622823 Li\n0.364979 0.218408 0.025134 Cu\n0.135021 0.718408 0.025134 Cu\n0.665923 0.472568 0.114741 Cu\n0.834077 0.972568 0.114741 Cu\n0.165923 0.027432 0.885259 Cu\n0.334077 0.527432 0.885259 Cu\n0.864979 0.281592 0.974866 Cu\n0.635021 0.781592 0.974866 Cu\n0.751068 0.038750 0.364502 C\n0.129977 0.313097 0.221693 C\n0.748932 0.538750 0.364502 C\n0.370023 0.813097 0.221693 C\n0.629977 0.186903 0.778307 C\n0.251068 0.461250 0.635498 C\n0.870023 0.686903 0.778307 C\n0.248932 0.961250 0.635498 C\n0.078698 0.114417 0.017443 O\n0.742378 0.078709 0.226038 O\n0.273200 0.216144 0.213183 O\n0.421302 0.614417 0.017443 O\n0.966433 0.361516 0.122955 O\n0.673710 0.125107 0.421586 O\n0.757622 0.578709 0.226038 O\n0.150254 0.358100 0.322565 O\n0.226800 0.716144 0.213183 O\n0.533567 0.861516 0.122955 O\n0.669305 0.414763 0.445237 O\n0.169305 0.085237 0.554763 O\n0.826290 0.625107 0.421586 O\n0.349746 0.858100 0.322565 O\n0.650254 0.141900 0.677435 O\n0.173710 0.374893 0.578414 O\n0.830695 0.914763 0.445237 O\n0.330695 0.585237 0.554763 O\n0.466433 0.138484 0.877045 O\n0.773200 0.283856 0.786817 O\n0.849746 0.641900 0.677435 O\n0.242378 0.421291 0.773962 O\n0.326290 0.874893 0.578414 O\n0.033567 0.638484 0.877045 O\n0.578698 0.385583 0.982557 O\n0.726800 0.783856 0.786817 O\n0.257622 0.921291 0.773962 O\n0.921302 0.885583 0.982557 O\n",
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{
"id": "mp-972845",
"created_at": "2022-09-04T14:46:02.220714Z",
"structure_string": "Si1 Mo1\n1.0\n1.566794 -2.713767 0.000000\n1.566794 2.713767 0.000000\n0.000000 0.000000 3.523341\nSi Mo\n1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.333333 0.666667 0.500000 Mo\n",
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{
"id": "mp-1184821",
"created_at": "2022-09-04T14:46:01.653926Z",
"structure_string": "Ho1 Rh2 Pb1\n1.0\n0.000000 3.369914 3.369914\n3.369914 0.000000 3.369914\n3.369914 3.369914 0.000000\nHo Rh Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.000000 0.000000 0.000000 Pb\n",
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"formula_full": "Ho1 Rh2 Pb1",
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{
"id": "mp-2417",
"created_at": "2022-09-04T14:46:01.838351Z",
"structure_string": "Dy1 Ir3\n1.0\n4.057736 0.000000 0.000000\n0.000000 4.057736 0.000000\n0.000000 0.000000 4.057736\nDy Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n",
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{
"id": "mp-1522156",
"created_at": "2022-09-04T14:46:01.847196Z",
"structure_string": "Sr1 Sm1 Ti4 O12\n1.0\n5.497502 0.000000 0.000000\n0.000000 5.497502 0.000000\n0.000000 0.000000 7.774647\nSr Sm Ti O\n1 1 4 12\ndirect\n-0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sm\n0.000000 0.500000 0.748677 Ti\n-0.000000 0.500000 0.251323 Ti\n0.500000 -0.000000 0.748677 Ti\n0.500000 0.000000 0.251323 Ti\n0.255696 0.255696 0.761361 O\n0.255696 0.255696 0.238639 O\n0.744304 0.744304 0.761361 O\n0.744304 0.744304 0.238639 O\n0.744304 0.255696 0.761361 O\n0.744304 0.255696 0.238639 O\n0.255696 0.744304 0.761361 O\n0.255696 0.744304 0.238639 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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"density": 4.391747764814982,
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{
"id": "mp-973976",
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"structure_string": "Lu2 Br2\n1.0\n1.803437 -3.123645 0.000000\n1.803437 3.123645 0.000000\n0.000000 0.000000 9.871749\nLu Br\n2 2\ndirect\n0.666667 0.333333 0.830990 Lu\n0.333333 0.666667 0.330990 Lu\n0.666667 0.333333 0.544011 Br\n0.333333 0.666667 0.044011 Br\n",
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{
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"structure_string": "Sm3 Mg3 Tl3\n1.0\n3.839316 -6.649891 0.000000\n3.839316 6.649891 0.000000\n0.000000 0.000000 4.738534\nSm Mg Tl\n3 3 3\ndirect\n0.428823 0.428823 0.000000 Sm\n0.571177 0.000000 0.000000 Sm\n0.000000 0.571177 0.000000 Sm\n0.000000 0.242741 0.500000 Mg\n0.757259 0.757259 0.500000 Mg\n0.242741 0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666667 0.500000 Tl\n",
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"volume": 241.9593350414854,
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{
"id": "mp-1211599",
"created_at": "2022-09-04T14:46:02.101462Z",
"structure_string": "K4 Dy4 Br12\n1.0\n7.643670 0.000000 0.000000\n0.000000 8.072648 0.000000\n0.000000 0.000000 11.057192\nK Dy Br\n4 4 12\ndirect\n0.028770 0.427279 0.250000 K\n0.971230 0.572721 0.750000 K\n0.528770 0.072721 0.750000 K\n0.471230 0.927279 0.250000 K\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.300791 0.203930 0.046317 Br\n0.699209 0.796070 0.953683 Br\n0.800791 0.296070 0.953683 Br\n0.699209 0.796070 0.546317 Br\n0.199209 0.703930 0.046317 Br\n0.300791 0.203930 0.453683 Br\n0.199209 0.703930 0.453683 Br\n0.800791 0.296070 0.546317 Br\n0.603059 0.525811 0.250000 Br\n0.396941 0.474189 0.750000 Br\n0.103059 0.974189 0.750000 Br\n0.896941 0.025811 0.250000 Br\n",
"nsites": 20,
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"elements": [
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"volume": 682.280243482244,
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"formula_full": "K4 Dy4 Br12",
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{
"id": "mp-1183907",
"created_at": "2022-09-04T14:46:02.382794Z",
"structure_string": "Cs6 Si2\n1.0\n4.768459 -8.259214 0.000000\n4.768459 8.259214 0.000000\n0.000000 0.000000 5.930425\nCs Si\n6 2\ndirect\n0.191160 0.382321 0.250000 Cs\n0.617679 0.808840 0.250000 Cs\n0.191160 0.808840 0.250000 Cs\n0.808840 0.617679 0.750000 Cs\n0.382321 0.191160 0.750000 Cs\n0.808840 0.191160 0.750000 Cs\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
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{
"id": "mp-1042435",
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"structure_string": "Ba2 Al1 Cu3 O8\n1.0\n3.810424 0.000000 0.000000\n0.000000 3.810424 0.000000\n0.000000 0.000000 11.576351\nBa Al Cu O\n2 1 3 8\ndirect\n0.500000 0.500000 0.171469 Ba\n0.500000 0.500000 0.828531 Ba\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.355776 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.644224 Cu\n0.000000 0.500000 0.397531 O\n0.500000 0.000000 0.397531 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.182917 O\n0.000000 0.500000 0.602469 O\n0.500000 0.000000 0.602469 O\n0.000000 0.000000 0.817083 O\n0.000000 0.500000 0.000000 O\n",
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]
}