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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4384",
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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",
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{
"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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{
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"created_at": "2022-09-04T14:37:18.912445Z",
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"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",
"nsites": 2,
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"elements": [
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"density_atomic": 0.02855024788358837,
"volume": 70.0519311830447,
"volume_molar": 21.093129504706425,
"formula_full": "Te1 Pb1",
"formula_reduced": "TePb",
"formula_anonymous": "AB",
"energy_above_hull": 0.1778242933333333,
"spacegroup": 225
},
{
"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": [
"Tl",
"Te",
"Pb"
],
"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",
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"spacegroup": 140
},
{
"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",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-Th",
"density": 11.965301944599787,
"density_atomic": 0.03376453602417067,
"volume": 118.46749492238132,
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"formula_full": "Th1 Pb3",
"formula_reduced": "ThPb3",
"formula_anonymous": "AB3",
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"spacegroup": 221
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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",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-Th",
"density": 12.100254925631246,
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"volume": 123.96337883149954,
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"formula_reduced": "Th3Pb",
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{
"id": "jvasp-17542",
"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",
"nsites": 4,
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"elements": [
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"volume": 120.8645046179102,
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"formula_reduced": "ThPb",
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"spacegroup": 123
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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",
"nsites": 4,
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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",
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"spacegroup": 141
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{
"id": "jvasp-40061",
"created_at": "2022-09-04T14:37:59.035376Z",
"updated_at": "2022-09-04T14:37:59.035402Z",
"structure_string": "Ti6 Pb2\n1.0\n2.983486 -5.167549 -0.000000\n2.983486 5.167549 0.000000\n-0.000000 -0.000000 4.795657\nTi Pb\n6 2\ndirect\n0.839988 0.160013 0.250000 Ti\n0.839989 0.679975 0.250000 Ti\n0.320027 0.160013 0.250000 Ti\n0.160013 0.839988 0.750000 Ti\n0.160013 0.320027 0.750000 Ti\n0.679975 0.839989 0.750000 Ti\n0.666668 0.333334 0.750000 Pb\n0.333334 0.666668 0.250000 Pb\n",
"nsites": 8,
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"elements": [
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"density": 7.878675237348111,
"density_atomic": 0.0541007480571985,
"volume": 147.87226216432217,
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"formula_full": "Ti6 Pb2",
"formula_reduced": "Ti3Pb",
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"spacegroup": 194
},
{
"id": "jvasp-102319",
"created_at": "2022-09-04T14:36:46.642358Z",
"updated_at": "2022-09-04T14:36:46.642382Z",
"structure_string": "Tl1 Pb1\n1.0\n3.379616 -0.004314 5.057065\n1.531072 3.012912 5.057065\n-0.007042 -0.004314 6.082406\nTl Pb\n1 1\ndirect\n0.500000 0.500001 0.500000 Tl\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 2,
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"elements": [
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},
{
"id": "jvasp-37778",
"created_at": "2022-09-04T14:38:33.053935Z",
"updated_at": "2022-09-04T14:38:33.053959Z",
"structure_string": "Tl6 Pb2\n1.0\n3.546360 -6.142475 0.000000\n3.546360 6.142475 -0.000000\n-0.000000 0.000000 5.657000\nTl Pb\n6 2\ndirect\n0.831865 0.168135 0.750000 Tl\n0.336271 0.168135 0.750000 Tl\n0.831865 0.663729 0.750000 Tl\n0.168135 0.831865 0.250000 Tl\n0.663729 0.831865 0.250000 Tl\n0.168135 0.336271 0.250000 Tl\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
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},
{
"id": "jvasp-79896",
"created_at": "2022-09-04T14:37:12.312833Z",
"updated_at": "2022-09-04T14:37:12.312859Z",
"structure_string": "Yb2 Tl1 Pb1\n1.0\n-0.000000 3.828664 3.828664\n3.828664 -0.000000 3.828664\n3.828664 3.828664 0.000000\nYb Tl Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.749999 0.749999 0.749999 Tl\n0.250001 0.250001 0.250001 Pb\n",
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"formula_anonymous": "ABC2",
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}
]
}