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{
"id": "mp-30639",
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"structure_string": "Th8 Fe28\n1.0\n2.561398 -4.436471 0.000000\n2.561398 4.436471 0.000000\n0.000000 0.000000 24.770029\nTh Fe\n8 28\ndirect\n0.333333 0.666667 0.027426 Th\n0.666667 0.333333 0.527426 Th\n0.666667 0.333333 0.972574 Th\n0.333333 0.666667 0.472574 Th\n0.333333 0.666667 0.173128 Th\n0.666667 0.333333 0.673128 Th\n0.666667 0.333333 0.826872 Th\n0.333333 0.666667 0.326872 Th\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.168148 Fe\n0.000000 0.000000 0.668148 Fe\n0.000000 0.000000 0.831852 Fe\n0.000000 0.000000 0.331852 Fe\n0.333333 0.666667 0.832462 Fe\n0.666667 0.333333 0.332462 Fe\n0.666667 0.333333 0.167538 Fe\n0.333333 0.666667 0.667538 Fe\n0.833236 0.666472 0.250000 Fe\n0.166764 0.833236 0.750000 Fe\n0.666472 0.833236 0.750000 Fe\n0.333528 0.166764 0.250000 Fe\n0.833236 0.166764 0.250000 Fe\n0.166764 0.333528 0.750000 Fe\n0.833788 0.667575 0.085945 Fe\n0.166212 0.833788 0.585945 Fe\n0.667575 0.833788 0.585945 Fe\n0.332425 0.166212 0.085945 Fe\n0.833788 0.166212 0.085945 Fe\n0.166212 0.332425 0.914055 Fe\n0.166212 0.833788 0.914055 Fe\n0.166212 0.332425 0.585945 Fe\n0.667575 0.833788 0.914055 Fe\n0.332425 0.166212 0.414055 Fe\n0.833788 0.667575 0.414055 Fe\n0.833788 0.166212 0.414055 Fe\n",
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{
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{
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"created_at": "2022-09-04T14:39:16.642063Z",
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},
{
"id": "mp-631572",
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"structure_string": "Ga1 Re1 As1\n1.0\n0.000000 3.008358 3.008358\n3.008358 0.000000 3.008358\n3.008358 3.008358 0.000000\nGa Re As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ga\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "mp-12545",
"created_at": "2022-09-04T14:42:59.869471Z",
"structure_string": "Er6 Pd4\n1.0\n7.726330 0.000000 0.000000\n0.000000 7.726330 0.000000\n0.000000 0.000000 3.940340\nEr Pd\n6 4\ndirect\n0.836272 0.663728 0.500000 Er\n0.336272 0.836272 0.500000 Er\n0.163728 0.336272 0.500000 Er\n0.663728 0.163728 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.000000 0.000000 Er\n0.134541 0.634541 0.000000 Pd\n0.634541 0.865459 0.000000 Pd\n0.365459 0.134541 0.000000 Pd\n0.865459 0.365459 0.000000 Pd\n",
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"updated_at": "2021-11-28T01:36:05.954000Z",
"spacegroup": 127
},
{
"id": "mp-9270",
"created_at": "2022-09-04T14:46:35.737486Z",
"structure_string": "Sb4 Ir4 S4\n1.0\n6.098477 0.000000 0.000000\n0.000000 6.111584 0.000000\n0.000000 0.000000 6.111689\nSb Ir S\n4 4 4\ndirect\n0.633963 0.379659 0.382267 Sb\n0.366037 0.620341 0.882267 Sb\n0.633963 0.120341 0.882267 Sb\n0.366037 0.879659 0.382267 Sb\n0.766987 0.511014 0.999149 Ir\n0.233013 0.488986 0.499149 Ir\n0.766987 0.988986 0.499149 Ir\n0.233013 0.011014 0.999149 Ir\n0.126242 0.118149 0.620784 S\n0.873758 0.881851 0.120784 S\n0.126242 0.381851 0.120784 S\n0.873758 0.618149 0.620784 S\n",
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"formula_full": "Sb4 Ir4 S4",
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},
{
"id": "mp-1226947",
"created_at": "2022-09-04T14:43:41.045736Z",
"structure_string": "Ce4 Bi8 Pd3\n1.0\n4.675261 0.000000 0.000000\n0.000000 4.675261 0.000000\n0.000000 0.000000 19.209344\nCe Bi Pd\n4 8 3\ndirect\n0.500000 0.000000 0.111716 Ce\n0.500000 0.000000 0.616293 Ce\n0.000000 0.500000 0.888284 Ce\n0.000000 0.500000 0.383707 Ce\n0.500000 0.000000 0.920143 Bi\n0.500000 0.000000 0.412539 Bi\n0.000000 0.500000 0.079857 Bi\n0.000000 0.500000 0.587461 Bi\n0.500000 0.500000 0.750640 Bi\n0.500000 0.500000 0.249360 Bi\n0.000000 0.000000 0.750465 Bi\n0.000000 0.000000 0.249535 Bi\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 15,
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"elements": [
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],
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"density": 10.090945319603087,
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"volume": 419.8790977911901,
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"formula_full": "Ce4 Bi8 Pd3",
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{
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{
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"structure_string": "Ti4 Si4 Ir4\n1.0\n3.882031 0.000000 0.000000\n0.000000 6.276491 0.000000\n0.000000 0.000000 7.243883\nTi Si Ir\n4 4 4\ndirect\n0.250000 0.023478 0.818716 Ti\n0.250000 0.523478 0.681284 Ti\n0.750000 0.976522 0.181284 Ti\n0.750000 0.476522 0.318716 Ti\n0.250000 0.770718 0.377101 Si\n0.250000 0.270718 0.122899 Si\n0.750000 0.229282 0.622899 Si\n0.750000 0.729282 0.877101 Si\n0.250000 0.156556 0.437940 Ir\n0.250000 0.656556 0.062060 Ir\n0.750000 0.843444 0.562060 Ir\n0.750000 0.343444 0.937940 Ir\n",
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{
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{
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"created_at": "2022-09-04T14:40:58.800328Z",
"structure_string": "Sr2 Hg6\n1.0\n5.514026 0.000000 0.000000\n0.000000 5.830686 0.000000\n0.000000 0.000000 7.056331\nSr Hg\n2 6\ndirect\n0.500000 0.845200 0.500000 Sr\n0.000000 0.154800 0.000000 Sr\n0.500000 0.336796 0.245800 Hg\n0.500000 0.336796 0.754200 Hg\n0.500000 0.808927 0.000000 Hg\n0.000000 0.663204 0.745800 Hg\n0.000000 0.663204 0.254200 Hg\n0.000000 0.191073 0.500000 Hg\n",
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{
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"structure_string": "Ga4 Ni3 Pt1\n1.0\n0.012517 4.746820 -0.012517\n-0.012517 -0.012517 4.746820\n4.746820 0.012517 -0.012517\nGa Ni Pt\n4 3 1\ndirect\n0.166766 0.333234 0.666766 Ga\n0.345728 0.662661 0.144185 Ga\n0.644185 0.154272 0.337339 Ga\n0.837339 0.855815 0.845728 Ga\n0.639867 0.355517 0.859569 Ni\n0.359569 0.860133 0.644483 Ni\n0.144483 0.140431 0.139867 Ni\n0.862063 0.637937 0.362063 Pt\n",
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]
}