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{
"id": "jvasp-53106",
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"structure_string": "Tl2 Sb2 S4\n1.0\n-6.191077 -0.205568 0.267248\n-0.345549 -6.186168 -0.251516\n2.251324 3.019072 5.903122\nTl Sb S\n2 2 4\ndirect\n0.003203 0.012846 0.982064 Tl\n0.746295 0.238163 0.524045 Tl\n0.471972 0.512129 -0.009680 Sb\n0.277496 0.738905 0.515775 Sb\n0.095993 0.560369 0.068033 S\n0.653482 0.690658 0.438066 S\n0.524380 0.906109 0.998911 S\n0.225108 0.344927 0.507191 S\n",
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{
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{
"id": "jvasp-5752",
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"structure_string": "Tl2 Sb2 O6\n1.0\n5.009474 -0.049637 5.897459\n2.132519 4.533169 5.897462\n-0.079072 -0.049644 7.737480\nTl Sb O\n2 2 6\ndirect\n0.624626 0.624627 0.624626 Tl\n0.375373 0.375374 0.375373 Tl\n0.833598 0.833599 0.833598 Sb\n0.166401 0.166402 0.166401 Sb\n0.829912 0.447270 0.063504 O\n0.447270 0.063504 0.829912 O\n0.063504 0.829913 0.447269 O\n0.170087 0.552731 0.936495 O\n0.936496 0.170087 0.552730 O\n0.552730 0.936496 0.170087 O\n",
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"density_atomic": 0.05570806535293822,
"volume": 179.50722102167865,
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"formula_full": "Tl2 Sb2 O6",
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{
"id": "jvasp-12062",
"created_at": "2022-09-04T14:37:07.092805Z",
"updated_at": "2022-09-04T14:37:07.092823Z",
"structure_string": "Tl2 S2\n1.0\n-2.027469 -3.511680 0.000000\n-4.054939 -0.000000 0.000000\n-2.027469 -1.170560 -7.167771\nTl S\n2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.737693 0.737693 0.786921 S\n0.262307 0.262307 0.213079 S\n",
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{
"id": "jvasp-115326",
"created_at": "2022-09-04T14:38:46.436439Z",
"updated_at": "2022-09-04T14:38:46.436473Z",
"structure_string": "Tl2 S1 O2\n1.0\n3.809644 0.000000 -0.000000\n-1.904822 3.299249 0.000000\n-0.000000 -0.000000 6.775522\nTl S O\n2 1 2\ndirect\n0.666667 0.333333 0.774627 Tl\n0.333333 0.666666 0.225373 Tl\n0.000000 0.000000 0.500000 S\n0.666667 0.333333 0.131673 O\n0.333333 0.666666 0.868328 O\n",
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{
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"created_at": "2022-09-04T14:36:16.426130Z",
"updated_at": "2022-09-04T14:36:16.426157Z",
"structure_string": "Tl2 Rh6\n1.0\n5.686065 -0.000000 0.000000\n-2.843032 4.924277 0.000000\n-0.000000 -0.000000 4.580877\nTl Rh\n2 6\ndirect\n0.333334 0.666667 0.750001 Tl\n0.666667 0.333334 0.250000 Tl\n0.160579 0.321158 0.250000 Rh\n0.678844 0.839422 0.250000 Rh\n0.160579 0.839422 0.250000 Rh\n0.839423 0.678843 0.750001 Rh\n0.321158 0.160578 0.750001 Rh\n0.839423 0.160578 0.750001 Rh\n",
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{
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"created_at": "2022-09-04T14:36:17.149602Z",
"updated_at": "2022-09-04T14:36:17.149627Z",
"structure_string": "Tl2 Rh3 S2\n1.0\n-4.978706 -0.000000 2.848447\n-3.304189 4.688656 -0.000000\n-4.973970 0.003337 -2.918556\nTl Rh S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.500000 Tl\n0.500000 0.000000 0.500000 Rh\n-0.000001 0.500001 0.500000 Rh\n-0.000000 0.000000 0.500000 Rh\n0.719278 0.719279 0.842166 S\n0.280722 0.280723 0.157834 S\n",
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"formula_full": "Tl2 Rh3 S2",
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"formula_anonymous": "A2B2C3",
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{
"id": "jvasp-29338",
"created_at": "2022-09-04T14:37:03.585771Z",
"updated_at": "2022-09-04T14:37:03.585791Z",
"structure_string": "Tl2 Pt4 Se6\n1.0\n7.533876 -0.000000 -0.000000\n-3.766938 6.524528 0.000000\n0.000000 0.000000 5.853702\nTl Pt Se\n2 4 6\ndirect\n0.333333 0.666667 0.349153 Tl\n0.666667 0.333333 0.650847 Tl\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.169259 0.830741 0.783033 Se\n0.169259 0.338518 0.783033 Se\n0.661482 0.830741 0.783033 Se\n0.338518 0.169259 0.216967 Se\n0.830741 0.661482 0.216967 Se\n0.830741 0.169259 0.216967 Se\n",
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"elements": [
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"volume": 287.7386334807276,
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"formula_full": "Tl2 Pt4 Se6",
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{
"id": "jvasp-4630",
"created_at": "2022-09-04T14:36:53.303017Z",
"updated_at": "2022-09-04T14:36:53.303026Z",
"structure_string": "Tl2 Pt4 S6\n1.0\n3.596844 -6.229916 0.000000\n3.596844 6.229916 0.000000\n-0.000000 0.000000 5.932069\nTl Pt S\n2 4 6\ndirect\n0.666667 0.333332 0.623707 Tl\n0.333332 0.666667 0.376294 Tl\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 -0.000000 Pt\n-0.000000 0.500000 -0.000000 Pt\n0.500000 -0.000000 0.000000 Pt\n0.830417 0.660836 0.199038 S\n0.339163 0.169582 0.199038 S\n0.830418 0.169581 0.199038 S\n0.169581 0.830418 0.800962 S\n0.169582 0.339163 0.800962 S\n0.660836 0.830417 0.800962 S\n",
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"spacegroup": 164
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{
"id": "jvasp-3885",
"created_at": "2022-09-04T14:36:05.213209Z",
"updated_at": "2022-09-04T14:36:05.213250Z",
"structure_string": "Tl2 Pt1 Cl6\n1.0\n5.994508 0.000000 3.460930\n1.998169 5.651676 3.460930\n0.000000 0.000000 6.921862\nTl Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750001 0.749999 Tl\n0.000000 0.000000 0.000000 Pt\n0.760204 0.239797 0.239796 Cl\n0.760204 0.760204 0.239796 Cl\n0.239797 0.239797 0.760203 Cl\n0.760204 0.239797 0.760203 Cl\n0.239796 0.760204 0.239796 Cl\n0.239796 0.760204 0.760203 Cl\n",
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{
"id": "jvasp-112341",
"created_at": "2022-09-04T14:38:26.395893Z",
"updated_at": "2022-09-04T14:38:26.395909Z",
"structure_string": "Tl2 Pd9 Pb1\n1.0\n4.083919 -0.008759 -11.541788\n-0.128656 4.081902 -11.541788\n0.008505 0.008759 12.243006\nTl Pd Pb\n2 9 1\ndirect\n0.166174 0.166174 -0.000000 Tl\n0.000995 0.000995 -0.000000 Tl\n0.916121 0.416120 0.500000 Pd\n0.416120 0.916120 0.499999 Pd\n0.084347 0.584347 0.500000 Pd\n0.584348 0.084347 0.500001 Pd\n0.500168 0.500168 -0.000001 Pd\n0.749472 0.249472 0.500000 Pd\n0.249472 0.749472 0.500000 Pd\n0.331064 0.331064 -0.000001 Pd\n0.667753 0.667753 -0.000001 Pd\n0.833966 0.833966 -0.000002 Pb\n",
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{
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"created_at": "2022-09-04T14:37:16.406312Z",
"updated_at": "2022-09-04T14:37:16.406346Z",
"structure_string": "Tl2 Pd6 O8\n1.0\n5.935938 -0.000000 3.427115\n1.978646 5.596456 3.427115\n0.000000 -0.000000 6.854231\nTl Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.857624 0.857624 0.857624 O\n0.142377 0.142377 0.572870 O\n0.142377 0.572871 0.142377 O\n0.572871 0.142377 0.142377 O\n0.857624 0.427130 0.857624 O\n0.427130 0.857624 0.857624 O\n0.142377 0.142377 0.142377 O\n0.857624 0.857624 0.427130 O\n",
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}