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{
"id": "jvasp-115376",
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"updated_at": "2022-09-04T14:38:44.848614Z",
"structure_string": "Y1 Pb1 S1\n1.0\n5.296962 -0.000000 -0.000000\n-2.648481 4.587303 0.000000\n0.000000 0.000000 3.561041\nY Pb S\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.000000 S\n",
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{
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{
"id": "jvasp-115378",
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"structure_string": "Zr1 Pb1 S3\n1.0\n4.990959 0.000000 -0.000000\n-0.000000 4.990959 0.000000\n-0.000000 0.000000 4.990959\nZr Pb S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n0.500000 0.000000 0.000000 S\n",
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"spacegroup": 221
},
{
"id": "jvasp-115379",
"created_at": "2022-09-04T14:38:44.345538Z",
"updated_at": "2022-09-04T14:38:44.345567Z",
"structure_string": "Zr1 Pb1 S1\n1.0\n3.343721 0.000000 -0.000000\n0.000000 3.343721 -0.000000\n-0.000000 -0.000000 7.952567\nZr Pb S\n1 1 1\ndirect\n0.000000 0.000000 0.710784 Zr\n0.000000 0.000000 0.324996 Pb\n0.000000 0.000000 -0.005131 S\n",
"nsites": 3,
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"elements": [
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"density": 6.172181723736168,
"density_atomic": 0.033740681671236,
"volume": 88.91343776724898,
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"formula_full": "Zr1 Pb1 S1",
"formula_reduced": "ZrPbS",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-115380",
"created_at": "2022-09-04T14:38:46.643286Z",
"updated_at": "2022-09-04T14:38:46.643310Z",
"structure_string": "Zr1 Pb1 S3\n1.0\n4.962827 -0.000000 -0.000000\n-0.000000 4.962827 0.000000\n-0.000000 0.000000 5.255415\nZr Pb S\n1 1 3\ndirect\n0.500000 0.500000 0.574755 Zr\n0.000000 0.000000 0.164189 Pb\n0.000000 0.500000 0.466355 S\n0.500000 0.000000 0.466355 S\n0.500000 0.500000 0.018549 S\n",
"nsites": 5,
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"formula_full": "Zr1 Pb1 S3",
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"formula_anonymous": "ABC3",
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"spacegroup": 99
},
{
"id": "jvasp-32165",
"created_at": "2022-09-04T14:37:48.892451Z",
"updated_at": "2022-09-04T14:37:48.892485Z",
"structure_string": "Zr4 Pb4 S12\n1.0\n3.803540 -0.000000 0.000000\n-0.000000 9.113608 0.000000\n0.000000 0.000000 13.947818\nZr Pb S\n4 4 12\ndirect\n0.750000 0.831927 0.951182 Zr\n0.250000 0.168073 0.048818 Zr\n0.750000 0.331927 0.548818 Zr\n0.250000 0.668073 0.451182 Zr\n0.750000 0.484750 0.174584 Pb\n0.750000 0.984750 0.325416 Pb\n0.250000 0.015251 0.674584 Pb\n0.250000 0.515251 0.825416 Pb\n0.250000 0.773182 0.283760 S\n0.750000 0.226818 0.716240 S\n0.250000 0.509005 0.605628 S\n0.750000 0.832198 0.512572 S\n0.250000 0.167802 0.487429 S\n0.750000 0.332198 0.987429 S\n0.250000 0.667802 0.012571 S\n0.750000 0.990996 0.105628 S\n0.250000 0.009005 0.894372 S\n0.750000 0.490995 0.394372 S\n0.750000 0.726819 0.783760 S\n0.250000 0.273182 0.216240 S\n",
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"volume": 483.4867805957112,
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"formula_full": "Zr4 Pb4 S12",
"formula_reduced": "ZrPbS3",
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"spacegroup": 62
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{
"id": "jvasp-79297",
"created_at": "2022-09-04T14:37:02.706957Z",
"updated_at": "2022-09-04T14:37:02.706976Z",
"structure_string": "Ta1 Tc1 Pb2\n1.0\n0.848190 4.025585 4.057278\n4.051297 0.799793 4.041451\n4.058602 4.026216 0.839143\nTa Tc Pb\n1 1 2\ndirect\n0.446343 0.446343 0.446334 Ta\n0.805015 0.805014 0.805002 Tc\n0.015749 0.015688 0.015795 Pb\n0.232893 0.232952 0.232870 Pb\n",
"nsites": 4,
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"elements": [
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"Tc",
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],
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"density": 12.49785999190342,
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"volume": 92.12227071115888,
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"formula_full": "Ta1 Tc1 Pb2",
"formula_reduced": "TaTcPb2",
"formula_anonymous": "ABC2",
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"spacegroup": 160
},
{
"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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"volume": 115.45093562751214,
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"formula_full": "Tb1 Pb3",
"formula_reduced": "TbPb3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-111629",
"created_at": "2022-09-04T14:38:52.440047Z",
"updated_at": "2022-09-04T14:38:52.440086Z",
"structure_string": "Tb10 Pb6\n1.0\n9.050583 0.000000 0.000000\n-4.525292 7.838035 0.000000\n0.000000 0.000000 6.620877\nTb Pb\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.763083 0.763083 0.750000 Tb\n0.236917 -0.000000 0.750000 Tb\n-0.000000 0.236917 0.750000 Tb\n0.236917 0.236917 0.250000 Tb\n0.763083 -0.000000 0.250000 Tb\n-0.000000 0.763083 0.250000 Tb\n0.394270 0.394270 0.750000 Pb\n0.605730 -0.000000 0.750000 Pb\n-0.000000 0.605730 0.750000 Pb\n0.605730 0.605730 0.250000 Pb\n0.394270 -0.000000 0.250000 Pb\n-0.000000 0.394270 0.250000 Pb\n",
"nsites": 16,
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"formula_full": "Tb10 Pb6",
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{
"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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},
{
"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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{
"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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}