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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=546",
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"results": [
{
"id": "jvasp-29425",
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"structure_string": "Tl18 S9\n1.0\n9.360961 -0.054446 1.238602\n1.078402 9.298795 1.238601\n-0.061485 -0.054446 9.442348\nTl S\n18 9\ndirect\n0.763030 0.728476 0.434986 Tl\n0.324086 0.360579 0.698570 Tl\n0.031911 0.657389 0.693937 Tl\n0.027255 0.365261 -0.009338 Tl\n0.061953 0.768294 0.096250 Tl\n0.395196 0.101672 0.429560 Tl\n0.728477 0.434985 0.763030 Tl\n0.429560 0.395195 0.101673 Tl\n0.360580 0.698570 0.324086 Tl\n0.693937 0.031911 0.657390 Tl\n0.365261 -0.009338 0.027255 Tl\n0.698570 0.324085 0.360580 Tl\n0.434986 0.763029 0.728476 Tl\n0.096250 0.061953 0.768295 Tl\n0.101673 0.429560 0.395196 Tl\n0.657389 0.693936 0.031911 Tl\n0.768295 0.096249 0.061953 Tl\n-0.009338 0.027255 0.365262 Tl\n0.581071 0.914354 0.247803 S\n0.207078 0.873833 0.540453 S\n0.914355 0.247802 0.581071 S\n0.534801 0.534800 0.534801 S\n0.247803 0.581070 0.914355 S\n0.201392 0.201392 0.201392 S\n0.540453 0.207077 0.873834 S\n0.873834 0.540452 0.207078 S\n0.868145 0.868144 0.868145 S\n",
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{
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"created_at": "2022-09-04T14:37:34.039793Z",
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"structure_string": "Tl4 Ru4 O14\n1.0\n6.329409 -0.000000 3.654286\n2.109803 5.967424 3.654286\n-0.000000 -0.000000 7.308572\nTl Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500001 Tl\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000001 Tl\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000001 Ru\n0.068956 0.681043 0.068957 O\n0.681043 0.068957 0.681043 O\n0.681043 0.068957 0.068957 O\n0.625000 0.625000 0.625001 O\n0.931043 0.318956 0.318957 O\n0.318956 0.931043 0.318958 O\n0.318957 0.318956 0.931043 O\n0.931043 0.931043 0.318958 O\n0.931043 0.318956 0.931044 O\n0.068956 0.681043 0.681044 O\n0.318956 0.931043 0.931044 O\n0.375000 0.375000 0.375000 O\n0.681043 0.681043 0.068958 O\n0.068957 0.068957 0.681043 O\n",
"nsites": 22,
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"volume": 276.04671708883876,
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"formula_full": "Tl4 Ru4 O14",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 227
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{
"id": "jvasp-94849",
"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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"density_atomic": 0.05203415300492592,
"volume": 134.52702880235853,
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{
"id": "jvasp-32974",
"created_at": "2022-09-04T14:38:03.578341Z",
"updated_at": "2022-09-04T14:38:03.578361Z",
"structure_string": "Tl4 Pt2 C8 N8\n1.0\n6.123351 0.000000 -1.643969\n0.000000 7.305080 0.000000\n-0.027969 0.000000 9.568122\nTl Pt C N\n4 2 8 8\ndirect\n0.731841 0.649716 0.417716 Tl\n0.768159 0.149716 0.082284 Tl\n0.268159 0.350284 0.582284 Tl\n0.231841 0.850284 0.917715 Tl\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.195716 0.500013 0.200852 C\n0.708740 0.162252 0.435689 C\n0.208740 0.337748 0.935689 C\n0.304284 0.000013 0.299147 C\n0.804284 0.499987 0.799147 C\n0.695716 -0.000013 0.700852 C\n0.791259 0.662252 0.064311 C\n0.291259 0.837748 0.564311 C\n0.328787 0.241354 0.895516 N\n0.810128 0.000393 0.818821 N\n0.671212 0.758646 0.104484 N\n0.310128 0.499607 0.318821 N\n0.828787 0.258646 0.395516 N\n0.189872 0.999607 0.181178 N\n0.171212 0.741354 0.604484 N\n0.689872 0.500393 0.681178 N\n",
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{
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"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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"volume": 234.50588033786883,
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"formula_full": "Tl2 Pt1 Cl6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-49170",
"created_at": "2022-09-04T14:37:11.038118Z",
"updated_at": "2022-09-04T14:37:11.038139Z",
"structure_string": "Tl4 Pt4 O14\n1.0\n6.305801 -0.000000 3.640656\n2.101934 5.945166 3.640656\n0.000000 -0.000000 7.281312\nTl Pt O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.499999 0.500000 0.500001 Pt\n0.499999 0.500000 0.000001 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.833798 0.416201 0.416202 O\n0.416201 0.416201 0.833799 O\n0.833798 0.833800 0.416202 O\n0.166200 0.583799 0.583799 O\n0.874999 0.875001 0.875001 O\n0.833798 0.416201 0.833800 O\n0.416200 0.833800 0.416202 O\n0.166200 0.583799 0.166201 O\n0.166201 0.166201 0.583799 O\n0.583798 0.583799 0.166202 O\n0.583799 0.166201 0.583799 O\n0.416200 0.833800 0.833800 O\n0.125000 0.125000 0.125000 O\n0.583799 0.166201 0.166201 O\n",
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"volume": 272.9693510062173,
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"formula_full": "Tl4 Pt4 O14",
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{
"id": "jvasp-54885",
"created_at": "2022-09-04T14:37:19.115195Z",
"updated_at": "2022-09-04T14:37:19.115209Z",
"structure_string": "Tl4 Pt2\n1.0\n4.907563 0.000000 2.830769\n2.453781 4.972801 1.415384\n-0.030898 0.000000 5.722949\nTl Pt\n4 2\ndirect\n0.659241 0.181515 0.500000 Tl\n0.840757 0.500000 0.818485 Tl\n0.340758 0.818485 0.500000 Tl\n0.159242 0.500000 0.181515 Tl\n0.250000 -0.000000 0.000000 Pt\n0.749999 -0.000000 0.000000 Pt\n",
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"formula_full": "Tl4 Pt2",
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},
{
"id": "jvasp-119671",
"created_at": "2022-09-04T14:38:52.177244Z",
"updated_at": "2022-09-04T14:38:52.177277Z",
"structure_string": "Tl8 P4 O16\n1.0\n7.195020 -0.000000 0.000000\n0.000000 5.350134 1.479436\n0.000000 1.924057 13.666358\nTl P O\n8 4 16\ndirect\n0.197150 0.218177 0.082981 Tl\n0.802850 0.218177 0.582981 Tl\n0.720055 0.599241 0.056234 Tl\n0.279946 0.599241 0.556234 Tl\n0.511141 0.231922 0.861900 Tl\n0.488859 0.231921 0.361900 Tl\n0.909215 0.718606 0.320754 Tl\n0.090785 0.718606 0.820754 Tl\n-0.002128 0.189664 0.843042 P\n0.002128 0.189663 0.343042 P\n0.419951 0.941140 0.693567 P\n0.580049 0.941139 0.193567 P\n0.096987 0.949417 0.930310 O\n0.903013 0.949417 0.430310 O\n-0.109000 0.367403 0.889370 O\n0.109000 0.367403 0.389370 O\n0.143819 0.378976 0.765966 O\n0.856181 0.378975 0.265966 O\n0.209286 0.957799 0.656108 O\n0.545281 0.820276 0.634663 O\n0.410024 0.765027 0.817001 O\n0.589976 0.765026 0.317001 O\n0.491602 0.219964 0.675554 O\n0.508398 0.219963 0.175554 O\n0.132997 0.063826 0.285284 O\n0.454719 0.820276 0.134663 O\n0.790714 0.957799 0.156108 O\n0.867003 0.063826 0.785284 O\n",
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{
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"created_at": "2022-09-04T14:37:32.640172Z",
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"structure_string": "Tl4 Pd2 Se4\n1.0\n3.732866 0.000000 0.000000\n0.000000 6.186635 0.000000\n0.000000 0.000000 11.380763\nTl Pd Se\n4 2 4\ndirect\n0.000000 0.611960 0.153104 Tl\n0.000000 0.388039 0.846896 Tl\n0.000000 0.111960 0.346896 Tl\n0.000000 0.888039 0.653104 Tl\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500001 0.681178 0.388614 Se\n0.500001 0.318822 0.611386 Se\n0.500001 0.181178 0.111386 Se\n0.500001 0.818821 0.888614 Se\n",
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{
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"created_at": "2022-09-04T14:36:46.163029Z",
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"structure_string": "Tl2 Pd1 Cl4\n1.0\n7.096092 0.000000 0.000000\n0.000000 7.096092 0.000000\n0.000000 0.000000 4.223999\nTl Pd Cl\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n0.767670 0.767670 0.000000 Cl\n0.767670 0.232330 0.000000 Cl\n0.232330 0.767670 0.000000 Cl\n0.232330 0.232330 0.000000 Cl\n",
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{
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"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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{
"id": "jvasp-94860",
"created_at": "2022-09-04T14:36:32.217566Z",
"updated_at": "2022-09-04T14:36:32.217594Z",
"structure_string": "Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n",
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}
]
}