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{
"id": "jvasp-110860",
"created_at": "2022-09-04T14:38:37.220967Z",
"updated_at": "2022-09-04T14:38:37.220989Z",
"structure_string": "Th3 Pb1\n1.0\n4.986140 -0.000000 0.000000\n0.000000 4.986140 0.000000\n-0.000000 0.000000 4.986140\nTh Pb\n3 1\ndirect\n-0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 -0.000000 Th\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:37:33.519152Z",
"updated_at": "2022-09-04T14:37:33.519187Z",
"structure_string": "Th2 Pb2\n1.0\n4.540117 -0.000000 0.000000\n0.000000 5.159598 0.000000\n0.000000 -0.000000 5.159598\nTh Pb\n2 2\ndirect\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n",
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{
"id": "jvasp-18066",
"created_at": "2022-09-04T14:37:28.439721Z",
"updated_at": "2022-09-04T14:37:28.439743Z",
"structure_string": "Th1 Pb3\n1.0\n4.911337 -0.000000 -0.000000\n0.000000 4.911337 -0.000000\n0.000000 0.000000 4.911337\nTh Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\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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"volume": 118.46749492238132,
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"formula_full": "Th1 Pb3",
"formula_reduced": "ThPb3",
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"spacegroup": 221
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{
"id": "jvasp-78945",
"created_at": "2022-09-04T14:36:35.573591Z",
"updated_at": "2022-09-04T14:36:35.573615Z",
"structure_string": "Th2 Pb2\n1.0\n4.402935 -0.000000 -1.644501\n-0.614222 4.359882 -1.644501\n-0.079043 -0.090960 6.504765\nTh Pb\n2 2\ndirect\n0.875001 0.625000 0.250000 Th\n0.125001 0.375000 0.750000 Th\n0.625002 0.875000 0.750000 Pb\n0.375001 0.125000 0.250000 Pb\n",
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"elements": [
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"density_atomic": 0.03237554053631301,
"volume": 123.55006074766615,
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"formula_full": "Th2 Pb2",
"formula_reduced": "ThPb",
"formula_anonymous": "AB",
"energy_above_hull": 1.0778132100000004,
"spacegroup": 141
},
{
"id": "jvasp-1065",
"created_at": "2022-09-04T14:37:03.569533Z",
"updated_at": "2022-09-04T14:37:03.569564Z",
"structure_string": "Tl8 Te6 Pb2\n1.0\n7.803337 0.000000 -4.377362\n-2.455526 7.406920 -4.377362\n0.026719 0.037007 9.191650\nTl Te Pb\n8 6 2\ndirect\n0.013127 0.513127 0.318774 Tl\n0.694354 0.194353 0.681227 Tl\n0.305647 0.805647 0.318774 Tl\n0.513127 0.305647 0.318774 Tl\n0.805647 0.013127 0.318774 Tl\n0.486873 0.694353 0.681227 Tl\n0.194353 0.986873 0.681227 Tl\n0.986873 0.486873 0.681227 Tl\n0.836284 0.663716 0.000000 Te\n0.663716 0.163716 0.000000 Te\n0.250000 0.250000 0.500000 Te\n0.750000 0.750000 0.500000 Te\n0.336283 0.836284 0.000000 Te\n0.163716 0.336284 0.000000 Te\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Te",
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"chemical_system": "Pb-Te-Tl",
"density": 8.757183298774153,
"density_atomic": 0.029974136598448324,
"volume": 533.7935238751222,
"volume_molar": 20.09112335970254,
"formula_full": "Tl8 Te6 Pb2",
"formula_reduced": "Tl4Te3Pb",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.017913065,
"spacegroup": 140
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{
"id": "jvasp-90810",
"created_at": "2022-09-04T14:35:43.533468Z",
"updated_at": "2022-09-04T14:35:43.533503Z",
"structure_string": "Te4 Pb4\n1.0\n0.000000 4.626790 0.000000\n0.000000 -0.000000 4.627536\n13.089301 0.000000 0.000000\nTe Pb\n4 4\ndirect\n0.250000 0.249808 0.875038 Te\n0.250000 0.250193 0.375038 Te\n0.750000 0.750193 0.124962 Te\n0.750000 0.749808 0.624962 Te\n0.250000 0.249672 0.625071 Pb\n0.250000 0.250328 0.125071 Pb\n0.750000 0.750329 0.374929 Pb\n0.750000 0.749673 0.874929 Pb\n",
"nsites": 8,
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"elements": [
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"density": 7.935028464805857,
"density_atomic": 0.02854591300249782,
"volume": 280.2502760833043,
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"formula_full": "Te4 Pb4",
"formula_reduced": "TePb",
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"spacegroup": 225
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{
"id": "jvasp-99391",
"created_at": "2022-09-04T14:36:34.057415Z",
"updated_at": "2022-09-04T14:36:34.057441Z",
"structure_string": "Te1 Pb3\n1.0\n4.475912 0.051537 -4.741535\n-0.670057 4.425773 -4.741535\n-0.043808 -0.051537 6.520278\nTe Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Te\n0.499999 0.500000 -0.000001 Pb\n0.249999 0.749999 0.499998 Pb\n0.749999 0.250000 0.499999 Pb\n",
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"elements": [
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"volume": 127.2216695297473,
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"formula_full": "Te1 Pb3",
"formula_reduced": "TePb3",
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"spacegroup": 139
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{
"id": "jvasp-102991",
"created_at": "2022-09-04T14:36:41.994186Z",
"updated_at": "2022-09-04T14:36:41.994209Z",
"structure_string": "Te2 Pb6\n1.0\n6.944383 -0.000000 0.000000\n-3.472190 6.014013 0.000000\n0.000000 0.000000 6.055111\nTe Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n0.166539 0.333077 0.250000 Pb\n0.666922 0.833461 0.250000 Pb\n0.166538 0.833461 0.250000 Pb\n0.833461 0.666922 0.750000 Pb\n0.333077 0.166539 0.750000 Pb\n0.833461 0.166539 0.750000 Pb\n",
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"formula_full": "Te2 Pb6",
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"spacegroup": 194
},
{
"id": "jvasp-17886",
"created_at": "2022-09-04T14:37:31.836261Z",
"updated_at": "2022-09-04T14:37:31.836286Z",
"structure_string": "Te1 Pb1\n1.0\n3.990832 0.000000 0.000000\n0.000000 3.990832 -0.000000\n0.000000 0.000000 3.990832\nTe Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Pb\n",
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"volume": 63.56094385609722,
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"formula_full": "Te1 Pb1",
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"spacegroup": 221
},
{
"id": "jvasp-52645",
"created_at": "2022-09-04T14:37:28.995621Z",
"updated_at": "2022-09-04T14:37:28.995646Z",
"structure_string": "Te4 Pb4\n1.0\n0.000000 4.536706 0.000145\n7.858290 0.000000 0.000000\n0.000000 0.000229 -7.970503\nTe Pb\n4 4\ndirect\n0.749989 0.666667 0.749854 Te\n0.749989 0.333333 0.249854 Te\n0.250012 0.166692 0.749461 Te\n0.250012 0.833308 0.249461 Te\n0.749993 0.000120 0.000223 Pb\n0.749993 -0.000120 0.500222 Pb\n0.249990 0.500162 0.500436 Pb\n0.249990 0.499838 0.000436 Pb\n",
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"spacegroup": 194
},
{
"id": "jvasp-1103",
"created_at": "2022-09-04T14:37:18.912445Z",
"updated_at": "2022-09-04T14:37:18.912476Z",
"structure_string": "Te1 Pb1\n1.0\n4.007212 0.000000 2.313565\n1.335737 3.778036 2.313565\n0.000000 0.000000 4.627130\nTe Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500001 0.500001 Pb\n",
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{
"id": "jvasp-17983",
"created_at": "2022-09-04T14:37:32.344344Z",
"updated_at": "2022-09-04T14:37:32.344370Z",
"structure_string": "Tb1 Pb3\n1.0\n4.869292 -0.000000 0.000000\n0.000000 4.869292 -0.000000\n0.000000 0.000000 4.869292\nTb Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n",
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}