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{
"id": "jvasp-81274",
"created_at": "2022-09-04T14:37:18.366217Z",
"updated_at": "2022-09-04T14:37:18.366249Z",
"structure_string": "Li1 Zr2 Pt1\n1.0\n-12.663792 0.000000 -7.311443\n-7.500354 -0.401022 -1.631893\n-6.532338 2.336940 -3.308545\nLi Zr Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.680273 0.000000 0.000000 Zr\n0.319726 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Na1 Cd1 Pb2\n1.0\n-12.231265 2.051168 -3.729742\n-8.536407 1.301887 0.601980\n-7.551354 4.090200 -1.107381\nNa Cd Pb\n1 1 2\ndirect\n0.000000 0.000002 -0.000003 Na\n0.500001 0.000005 -0.000005 Cd\n0.749706 -0.002209 -0.002890 Pb\n0.250293 0.002205 0.002898 Pb\n",
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{
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"structure_string": "Li1 Cu2 Pd1\n1.0\n-8.425428 -0.000000 -4.864422\n-7.671840 -0.112303 3.559170\n-5.312816 6.560024 -0.526779\nLi Cu Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744402 0.000000 0.000000 Cu\n0.255598 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-17622",
"created_at": "2022-09-04T14:37:33.471791Z",
"updated_at": "2022-09-04T14:37:33.471824Z",
"structure_string": "Sc4 In2 C2\n1.0\n1.674138 -2.899692 0.000000\n1.674138 2.899692 0.000000\n-0.000000 0.000000 15.262992\nSc In C\n4 2 2\ndirect\n0.333334 0.666668 0.080238 Sc\n0.333334 0.666668 0.419762 Sc\n0.666668 0.333334 0.580238 Sc\n0.666668 0.333334 0.919762 Sc\n0.333334 0.666668 0.750000 In\n0.666668 0.333334 0.250000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.857428484734568,
"density_atomic": 0.053985507715786425,
"volume": 148.18791817457785,
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"formula_full": "Sc4 In2 C2",
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{
"id": "jvasp-81120",
"created_at": "2022-09-04T14:37:18.417850Z",
"updated_at": "2022-09-04T14:37:18.417868Z",
"structure_string": "Ca1 Tl1 Hg2\n1.0\n-10.722550 -0.000000 -6.190667\n-6.893814 -1.209633 -0.440899\n-5.301894 3.292994 -3.198184\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 -0.000000 Tl\n0.746880 -0.000001 -0.000000 Hg\n0.253121 -0.000000 -0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 8.702946939831119,
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"volume": 123.18960566720574,
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{
"id": "jvasp-81251",
"created_at": "2022-09-04T14:37:18.462371Z",
"updated_at": "2022-09-04T14:37:18.462390Z",
"structure_string": "Na2 Tl1 Cd1\n1.0\n-12.366999 1.446376 -4.778279\n-8.839023 -0.107239 -0.475134\n-7.452424 3.814614 -2.876767\nNa Tl Cd\n2 1 1\ndirect\n0.749563 0.000373 0.000374 Na\n0.250438 0.999626 0.999626 Na\n0.500000 -0.000000 0.000001 Tl\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-82040",
"created_at": "2022-09-04T14:37:19.287515Z",
"updated_at": "2022-09-04T14:37:19.287539Z",
"structure_string": "Li2 Hg1 Bi1\n1.0\n-11.276381 4.249614 -0.390387\n-8.077995 1.427106 2.135278\n-6.761756 5.690241 -0.320817\nLi Hg Bi\n2 1 1\ndirect\n0.750053 -0.000105 0.000134 Li\n0.249950 0.000103 -0.000136 Li\n0.000000 0.000000 0.000000 Hg\n0.500001 -0.000001 -0.000001 Bi\n",
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{
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"created_at": "2022-09-04T14:37:33.438892Z",
"updated_at": "2022-09-04T14:37:33.438922Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n3.038462 0.010021 -0.007982\n-0.122730 7.829567 0.043737\n-0.694552 0.005261 8.050792\nZn Fe O\n4 4 8\ndirect\n0.350957 0.052064 0.703516 Zn\n0.624815 0.927854 0.268288 Zn\n0.769775 0.736456 0.896027 Zn\n0.205973 0.243458 0.075768 Zn\n0.016285 0.310159 0.408813 Fe\n0.709706 0.401602 0.734448 Fe\n0.266066 0.578321 0.237345 Fe\n-0.040523 0.669751 0.562985 Fe\n0.436066 0.737820 0.425671 O\n0.741857 0.393746 0.188320 O\n0.233908 0.586171 0.783479 O\n0.539700 0.242095 0.546129 O\n0.128447 0.084270 0.256662 O\n0.212680 0.250527 0.844019 O\n0.847318 0.895647 0.715135 O\n0.763079 0.729393 0.127778 O\n",
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"volume": 191.4925647211118,
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"formula_full": "Zn4 Fe4 O8",
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{
"id": "jvasp-10977",
"created_at": "2022-09-04T14:37:19.330720Z",
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"structure_string": "Tm4 Cu4 S8\n1.0\n3.915891 -0.000000 0.000000\n-0.000000 6.235993 0.000000\n0.000000 0.000000 13.212039\nTm Cu S\n4 4 8\ndirect\n0.250000 0.501510 0.133797 Tm\n0.750000 0.498489 0.866203 Tm\n0.750000 0.001511 0.366203 Tm\n0.250000 0.998489 0.633797 Tm\n0.250000 0.118480 0.951588 Cu\n0.750000 0.618480 0.548412 Cu\n0.750000 0.881519 0.048412 Cu\n0.250000 0.381520 0.451588 Cu\n0.250000 0.265690 0.791814 S\n0.750000 0.734310 0.208186 S\n0.750000 0.765690 0.708186 S\n0.250000 0.234310 0.291814 S\n0.250000 0.740609 0.959356 S\n0.250000 0.759390 0.459356 S\n0.750000 0.240609 0.540644 S\n0.750000 0.259391 0.040644 S\n",
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{
"id": "jvasp-41986",
"created_at": "2022-09-04T14:37:34.295109Z",
"updated_at": "2022-09-04T14:37:34.295135Z",
"structure_string": "Sc2 Cd1 In1\n1.0\n-0.000000 3.528912 3.528912\n3.528912 -0.000000 3.528912\n3.528912 3.528912 0.000000\nSc Cd In\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 In\n",
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},
{
"id": "jvasp-79872",
"created_at": "2022-09-04T14:37:18.444655Z",
"updated_at": "2022-09-04T14:37:18.444686Z",
"structure_string": "Pm1 In1 Pt2\n1.0\n-0.000001 3.457522 3.457530\n3.457593 -0.000040 3.457568\n3.457531 3.457499 0.000021\nPm In Pt\n1 1 2\ndirect\n0.750003 0.749998 0.750001 Pm\n0.249999 0.250003 0.250000 In\n0.000000 0.000000 0.999999 Pt\n0.500000 0.499998 0.500002 Pt\n",
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},
{
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"created_at": "2022-09-04T14:37:18.481134Z",
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"structure_string": "Na1 Cd2 Ag1\n1.0\n-11.680462 0.880611 -5.305684\n-7.654833 -0.799369 -0.658990\n-6.192436 3.336918 -3.191937\nNa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.640000 0.073469 0.073469 Cd\n0.359999 -0.073468 -0.073468 Cd\n0.500000 0.000001 0.000000 Ag\n",
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