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{
"id": "mp-755592",
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"structure_string": "K8 Tb4 O12\n1.0\n5.488910 3.158582 0.000000\n-5.488910 3.158582 0.000000\n0.000000 2.176803 12.422242\nK Tb O\n8 4 12\ndirect\n0.684771 0.842414 0.499819 K\n0.842414 0.684771 0.999819 K\n0.085694 0.914306 0.250000 K\n0.000000 0.500000 0.500000 K\n0.914306 0.085694 0.750000 K\n0.500000 0.000000 0.000000 K\n0.157586 0.315229 0.000181 K\n0.315229 0.157586 0.500181 K\n0.418189 0.581811 0.250000 Tb\n0.752445 0.247555 0.250000 Tb\n0.581811 0.418189 0.750000 Tb\n0.247555 0.752445 0.750000 Tb\n0.731238 0.949042 0.151440 O\n0.440926 0.880197 0.348674 O\n0.949042 0.731238 0.651440 O\n0.661142 0.490639 0.348124 O\n0.880197 0.440926 0.848674 O\n0.490639 0.661142 0.848124 O\n0.509361 0.338858 0.151876 O\n0.119803 0.559074 0.151326 O\n0.338858 0.509361 0.651876 O\n0.050958 0.268762 0.348560 O\n0.559074 0.119803 0.651326 O\n0.268762 0.050958 0.848560 O\n",
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{
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"structure_string": "Cu2 Te2 P4 O16\n1.0\n6.519119 0.000000 0.000000\n0.000000 4.945402 0.000000\n0.000000 1.011977 9.867542\nCu Te P O\n2 2 4 16\ndirect\n0.250000 0.914489 0.717516 Cu\n0.750000 0.085511 0.282484 Cu\n0.750000 0.455277 0.786440 Te\n0.250000 0.544723 0.213560 Te\n0.250000 0.394739 0.900777 P\n0.750000 0.920142 0.588786 P\n0.250000 0.079858 0.411214 P\n0.750000 0.605261 0.099223 P\n0.750000 0.702349 0.942681 O\n0.250000 0.707628 0.887358 O\n0.060565 0.273179 0.833863 O\n0.439435 0.273179 0.833863 O\n0.932270 0.762508 0.673559 O\n0.567730 0.762508 0.673559 O\n0.750000 0.225194 0.599194 O\n0.250000 0.150669 0.556801 O\n0.750000 0.849331 0.443199 O\n0.250000 0.774806 0.400806 O\n0.067730 0.237492 0.326441 O\n0.432270 0.237492 0.326441 O\n0.560565 0.726821 0.166137 O\n0.939435 0.726821 0.166137 O\n0.750000 0.292372 0.112642 O\n0.250000 0.297651 0.057319 O\n",
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"elements": [
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"density_atomic": 0.07544174916800264,
"volume": 318.12623997561286,
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"formula_full": "Cu2 Te2 P4 O16",
"formula_reduced": "CuTe(PO4)2",
"formula_anonymous": "ABC2D8",
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},
{
"id": "mp-1224802",
"created_at": "2022-09-04T14:48:14.980331Z",
"structure_string": "Ga1 Pd1\n1.0\n4.151788 -1.484340 0.000000\n4.151788 1.484340 0.000000\n3.621109 0.000000 2.515586\nGa Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Pd\n",
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},
{
"id": "mp-1216814",
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"structure_string": "U1 O1 F3\n1.0\n1.905988 -3.301268 0.000000\n1.905988 3.301268 0.000000\n0.000000 0.000000 5.113238\nU O F\n1 1 3\ndirect\n0.000000 0.000000 0.980629 U\n0.666667 0.333333 0.113973 O\n0.666667 0.333333 0.662589 F\n0.333333 0.666667 0.863932 F\n0.000000 0.000000 0.378877 F\n",
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{
"id": "mp-1063495",
"created_at": "2022-09-04T14:48:15.016458Z",
"structure_string": "Hg1 Br1 N1\n1.0\n4.045233 0.000000 0.000000\n0.000000 4.445788 0.000000\n0.000000 0.000000 4.647736\nHg Br N\n1 1 1\ndirect\n0.000000 0.000000 0.957753 Hg\n0.500000 0.500000 0.682768 Br\n0.500000 0.000000 0.819479 N\n",
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"spacegroup": 25
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{
"id": "mp-1521790",
"created_at": "2022-09-04T14:48:15.028628Z",
"structure_string": "Na1 Sr1 Pr1 Mn1 O6\n1.0\n0.000000 -4.208723 -4.208723\n4.208723 0.000000 -4.208723\n4.208723 -4.208723 0.000000\nNa Sr Pr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Mn\n0.774725 0.225275 0.225275 O\n0.225275 0.774725 0.774725 O\n0.774725 0.225275 0.774725 O\n0.225275 0.774725 0.225275 O\n0.774725 0.774725 0.225275 O\n0.225275 0.225275 0.774725 O\n",
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"formula_full": "Na1 Sr1 Pr1 Mn1 O6",
"formula_reduced": "NaSrPrMnO6",
"formula_anonymous": "ABCDE6",
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{
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"created_at": "2022-09-04T14:48:15.034702Z",
"structure_string": "U1 Pb3\n1.0\n4.839177 0.000000 0.000000\n0.000000 4.839177 0.000000\n0.000000 0.000000 4.839177\nU Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
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{
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"created_at": "2022-09-04T14:48:15.040752Z",
"structure_string": "Gd1 Ho3\n1.0\n-2.504181 2.504181 5.077254\n2.504181 -2.504181 5.077254\n2.504181 2.504181 -5.077254\nGd Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
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{
"id": "mp-1183647",
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"structure_string": "Cd1 Ag3\n1.0\n-2.093067 2.093067 4.262330\n2.093067 -2.093067 4.262330\n2.093067 2.093067 -4.262330\nCd Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
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{
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{
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"structure_string": "La6 Ni6 Bi8\n1.0\n-4.985519 4.985519 4.985519\n4.985519 -4.985519 4.985519\n4.985519 4.985519 -4.985519\nLa Ni Bi\n6 6 8\ndirect\n0.125000 0.875000 0.250000 La\n0.375000 0.625000 0.750000 La\n0.875000 0.250000 0.125000 La\n0.625000 0.750000 0.375000 La\n0.250000 0.125000 0.875000 La\n0.750000 0.375000 0.625000 La\n0.625000 0.375000 0.250000 Ni\n0.875000 0.125000 0.750000 Ni\n0.375000 0.250000 0.625000 Ni\n0.125000 0.750000 0.875000 Ni\n0.250000 0.625000 0.375000 Ni\n0.750000 0.875000 0.125000 Ni\n0.344123 0.344123 0.344123 Bi\n0.155877 0.500000 0.000000 Bi\n0.000000 0.155877 0.500000 Bi\n0.844123 0.844123 0.844123 Bi\n0.500000 0.000000 0.155877 Bi\n0.655877 0.500000 0.000000 Bi\n0.500000 0.000000 0.655877 Bi\n0.000000 0.655877 0.500000 Bi\n",
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{
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]
}