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{
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{
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{
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"structure_string": "Ni3 Te4\n1.0\n2.006537 6.256287 0.000000\n-2.006537 6.256287 0.000000\n0.000000 3.584686 5.723106\nNi Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.252326 0.252326 0.758876 Ni\n0.747674 0.747674 0.241124 Ni\n0.125228 0.125228 0.216354 Te\n0.628694 0.628694 0.703373 Te\n0.371306 0.371306 0.296627 Te\n0.874772 0.874772 0.783646 Te\n",
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"formula_full": "Ni3 Te4",
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"spacegroup": 12
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{
"id": "mp-1247756",
"created_at": "2022-09-04T14:46:41.568846Z",
"structure_string": "Tl2 Sb2 S4\n1.0\n6.780552 0.000000 4.794574\n3.318717 4.152224 9.690348\n-0.071559 0.000000 7.293061\nTl Sb S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.500000 0.000000 Tl\n0.500000 0.000000 0.000000 Sb\n0.250000 0.500000 0.000000 Sb\n0.023449 0.500000 0.453103 S\n0.726551 0.000000 0.546897 S\n0.476551 0.500000 0.546897 S\n0.273449 0.000000 0.453103 S\n",
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{
"id": "mp-1026424",
"created_at": "2022-09-04T14:39:35.992500Z",
"structure_string": "Mg14 Ti1 Ga1\n1.0\n6.320672 0.062456 0.000000\n-3.106248 5.380178 0.000000\n0.000000 0.000000 10.185068\nMg Ti Ga\n14 1 1\ndirect\n0.167048 0.333523 0.625000 Mg\n0.166316 0.833157 0.625000 Mg\n0.665186 0.330531 0.125000 Mg\n0.665386 0.333566 0.625000 Mg\n0.665186 0.834654 0.125000 Mg\n0.665386 0.831819 0.625000 Mg\n0.330979 0.167657 0.369055 Mg\n0.330979 0.167657 0.880945 Mg\n0.330979 0.663324 0.369055 Mg\n0.330979 0.663324 0.880945 Mg\n0.839084 0.169542 0.372537 Mg\n0.839084 0.169542 0.877463 Mg\n0.836168 0.668084 0.371300 Mg\n0.836168 0.668084 0.878700 Mg\n0.161716 0.330857 0.125000 Ti\n0.169356 0.834678 0.125000 Ga\n",
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{
"id": "mp-1110778",
"created_at": "2022-09-04T14:39:23.519090Z",
"structure_string": "K2 Rb1 Nd1 I6\n1.0\n0.000000 6.574407 6.574407\n6.574407 0.000000 6.574407\n6.574407 6.574407 0.000000\nK Rb Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.763853 0.236147 0.236147 I\n0.236147 0.236147 0.763853 I\n0.236147 0.763853 0.763853 I\n0.236147 0.763853 0.236147 I\n0.763853 0.236147 0.763853 I\n0.763853 0.763853 0.236147 I\n",
"nsites": 10,
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"elements": [
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"Rb",
"Nd",
"I"
],
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"volume": 568.328918058386,
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"formula_full": "K2 Rb1 Nd1 I6",
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{
"id": "mp-1246947",
"created_at": "2022-09-04T14:39:26.810928Z",
"structure_string": "In1 Co2 N2\n1.0\n3.088536 -0.041890 0.623033\n-1.580546 2.737585 0.000000\n1.457208 0.841320 8.144841\nIn Co N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 In\n0.529112 0.264557 0.108105 Co\n0.470888 0.735443 0.891895 Co\n0.864782 0.432391 0.844993 N\n0.135218 0.567609 0.155007 N\n",
"nsites": 5,
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{
"id": "mp-1022055",
"created_at": "2022-09-04T14:43:24.268808Z",
"structure_string": "Ba2 Mg12 Ni2\n1.0\n5.002088 0.000000 0.000000\n0.000000 6.024488 0.000000\n0.000000 0.000000 13.689253\nBa Mg Ni\n2 12 2\ndirect\n0.500000 0.500000 0.201813 Ba\n0.500000 0.000000 0.701813 Ba\n0.500000 0.245214 0.443576 Mg\n0.500000 0.754786 0.443576 Mg\n0.000000 0.764058 0.075295 Mg\n0.000000 0.235942 0.075295 Mg\n0.000000 0.000000 0.294264 Mg\n0.000000 0.500000 0.371054 Mg\n0.500000 0.745214 0.943576 Mg\n0.500000 0.254786 0.943576 Mg\n0.000000 0.264058 0.575295 Mg\n0.000000 0.735942 0.575295 Mg\n0.000000 0.500000 0.794264 Mg\n0.000000 0.000000 0.871054 Mg\n0.500000 0.000000 0.095123 Ni\n0.500000 0.500000 0.595123 Ni\n",
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{
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"structure_string": "Cs2 Ag2 Cl6\n1.0\n-3.681924 3.681924 5.565660\n3.681924 -3.681924 5.565660\n3.681924 3.681924 -5.565660\nCs Ag Cl\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Cs\n0.750000 0.250000 0.500000 Cs\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.766764 0.766764 0.533528 Cl\n0.766764 0.233236 0.000000 Cl\n0.233236 0.766764 0.000000 Cl\n0.233236 0.233236 0.466472 Cl\n0.282270 0.282270 0.000000 Cl\n0.717730 0.717730 0.000000 Cl\n",
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{
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{
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{
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"structure_string": "Li1 Pr1 O3\n1.0\n3.790912 0.000000 0.000000\n0.000000 3.790912 0.000000\n0.000000 0.000000 3.790912\nLi Pr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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]
}