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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3586",
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"results": [
{
"id": "jvasp-25661",
"created_at": "2022-09-04T14:38:16.728756Z",
"updated_at": "2022-09-04T14:38:16.728773Z",
"structure_string": "Rb8 Ag4 Sb4 S16\n1.0\n0.000000 8.205901 -0.078401\n10.859929 0.000000 0.000000\n0.000000 -7.838903 -10.294214\nRb Ag Sb S\n8 4 4 16\ndirect\n0.112803 0.988318 0.735940 Rb\n0.636057 0.729107 0.995142 Rb\n0.636057 0.770894 0.495142 Rb\n0.112803 0.511682 0.235940 Rb\n0.363943 0.229107 0.504857 Rb\n0.363942 0.270893 0.004857 Rb\n0.887197 0.011682 0.264060 Rb\n0.887197 0.488318 0.764060 Rb\n0.350795 0.030166 0.228523 Ag\n0.649205 0.969834 0.771476 Ag\n0.350795 0.469834 0.728523 Ag\n0.649205 0.530166 0.271476 Ag\n0.178572 0.774844 0.037208 Sb\n0.821428 0.225156 0.962792 Sb\n0.178572 0.725156 0.537207 Sb\n0.821428 0.274844 0.462792 Sb\n0.164976 0.816751 0.212553 S\n0.688213 0.072248 0.444524 S\n0.835023 0.183249 0.787447 S\n0.152266 0.227681 0.163485 S\n0.847733 0.772319 0.836514 S\n0.611380 0.067252 0.950694 S\n0.688213 0.427752 0.944523 S\n0.164976 0.683250 0.712553 S\n0.152266 0.272319 0.663485 S\n0.611380 0.432748 0.450694 S\n0.311787 0.572248 0.055476 S\n0.311787 0.927752 0.555476 S\n0.847733 0.727681 0.336514 S\n0.835023 0.316751 0.287447 S\n0.388620 0.567252 0.549306 S\n0.388619 0.932748 0.049306 S\n",
"nsites": 32,
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],
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"density": 3.801240943498041,
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"volume": 924.0483224299645,
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"formula_full": "Rb8 Ag4 Sb4 S16",
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{
"id": "jvasp-65252",
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"updated_at": "2022-09-04T14:35:56.835520Z",
"structure_string": "Mg4 Be1 Pb1\n1.0\n0.000000 4.090846 4.090846\n4.090846 -0.000000 4.090846\n4.090846 4.090846 -0.000000\nMg Be Pb\n4 1 1\ndirect\n0.123470 0.625511 0.625511 Mg\n0.625511 0.625511 0.625511 Mg\n0.625511 0.123470 0.625511 Mg\n0.625511 0.625511 0.123470 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
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"Be",
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"density_atomic": 0.04382095745951644,
"volume": 136.92078740048163,
"volume_molar": 13.742604244928915,
"formula_full": "Mg4 Be1 Pb1",
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"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65410",
"created_at": "2022-09-04T14:35:48.730715Z",
"updated_at": "2022-09-04T14:35:48.730727Z",
"structure_string": "Ba1 Mg2 Mn1\n1.0\n3.495605 0.000000 -0.000000\n-0.000000 3.495605 0.000000\n-0.000000 0.000000 8.611790\nBa Mg Mn\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Ba\n0.000000 0.000000 0.324959 Mg\n0.000000 0.000000 0.675041 Mg\n0.500001 0.500001 0.500000 Mn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Mn"
],
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"density": 3.801042902924718,
"density_atomic": 0.03801209943374932,
"volume": 105.22965212620092,
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"formula_full": "Ba1 Mg2 Mn1",
"formula_reduced": "BaMg2Mn",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-66546",
"created_at": "2022-09-04T14:36:10.300619Z",
"updated_at": "2022-09-04T14:36:10.300647Z",
"structure_string": "Ba1 Na1 Sb1\n1.0\n0.000000 3.949682 3.949682\n3.949682 -0.000000 3.949682\n3.949682 3.949682 -0.000000\nBa Na Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
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"elements": [
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"Na",
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],
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"density": 3.8010189113549444,
"density_atomic": 0.024344724645640792,
"volume": 123.2299828265745,
"volume_molar": 24.736943414467145,
"formula_full": "Ba1 Na1 Sb1",
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"spacegroup": 216
},
{
"id": "jvasp-71440",
"created_at": "2022-09-04T14:35:51.712220Z",
"updated_at": "2022-09-04T14:35:51.712247Z",
"structure_string": "Ca1 Be2 Sb1\n1.0\n3.547844 0.000000 0.000000\n-0.000000 3.547844 -0.000000\n0.000000 0.000000 6.242557\nCa Be Sb\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ca\n0.000000 0.000000 0.673859 Be\n0.000000 0.000000 0.326141 Be\n0.499999 0.499999 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"Be",
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],
"chemical_system": "Be-Ca-Sb",
"density": 3.8009998036176422,
"density_atomic": 0.05090593795159535,
"volume": 78.57629504446923,
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"formula_full": "Ca1 Be2 Sb1",
"formula_reduced": "CaBe2Sb",
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},
{
"id": "jvasp-70884",
"created_at": "2022-09-04T14:35:43.756463Z",
"updated_at": "2022-09-04T14:35:43.756491Z",
"structure_string": "Ca1 Be2 Cd1\n1.0\n4.383697 0.000000 0.000000\n0.000000 4.383697 0.000000\n0.000000 -0.000000 3.876678\nCa Be Cd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.8007275066706554,
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"volume": 74.49734341713261,
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"formula_full": "Ca1 Be2 Cd1",
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"spacegroup": 123
},
{
"id": "jvasp-24282",
"created_at": "2022-09-04T14:38:02.053430Z",
"updated_at": "2022-09-04T14:38:02.053452Z",
"structure_string": "Cd4 B8 Xe4 F40\n1.0\n0.000000 8.722806 -0.014290\n9.157830 0.000000 0.000000\n0.000000 -3.814853 -9.955305\nCd B Xe F\n4 8 4 40\ndirect\n0.654392 0.537310 0.362153 Cd\n0.154392 0.962689 0.362153 Cd\n0.845609 0.037310 0.637848 Cd\n0.345609 0.462689 0.637848 Cd\n0.475323 0.220887 0.423756 B\n0.524678 0.779113 0.576244 B\n0.709908 0.902663 0.288804 B\n0.975323 0.279113 0.423756 B\n0.790093 0.402663 0.711197 B\n0.290093 0.097337 0.711197 B\n0.209908 0.597337 0.288804 B\n0.024678 0.720887 0.576244 B\n0.652499 0.293097 0.048192 Xe\n0.347502 0.706903 0.951809 Xe\n0.152499 0.206903 0.048192 Xe\n0.847502 0.793097 0.951809 Xe\n0.273964 0.078447 0.574297 F\n0.409004 0.845752 0.463155 F\n0.356465 0.240900 0.750813 F\n0.112824 0.827935 0.532765 F\n0.365813 0.115354 0.343708 F\n0.369592 0.591463 0.278959 F\n0.051815 0.207449 0.344016 F\n0.865813 0.384646 0.343708 F\n0.391211 0.993733 0.793266 F\n0.643536 0.759100 0.249187 F\n0.229745 0.373427 0.957654 F\n0.551815 0.292550 0.344016 F\n0.590997 0.154248 0.536846 F\n0.270255 0.873427 0.042347 F\n0.608790 0.006267 0.206735 F\n0.887177 0.172064 0.467236 F\n0.226037 0.578447 0.425704 F\n0.909004 0.654248 0.463155 F\n0.072012 0.031520 0.143233 F\n0.948186 0.792550 0.655985 F\n0.130409 0.091463 0.721042 F\n0.108790 0.493733 0.206735 F\n0.572012 0.468480 0.143233 F\n0.869592 0.908537 0.278959 F\n0.427988 0.531520 0.856768 F\n0.612824 0.672064 0.532765 F\n0.143536 0.740900 0.249187 F\n0.448186 0.707449 0.655985 F\n0.726037 0.921553 0.425704 F\n0.927989 0.968480 0.856768 F\n0.770255 0.626573 0.042347 F\n0.891211 0.506267 0.793266 F\n0.387177 0.327935 0.467236 F\n0.773964 0.421553 0.574297 F\n0.729746 0.126573 0.957654 F\n0.134188 0.615354 0.656293 F\n0.856465 0.259100 0.750813 F\n0.630409 0.408537 0.721042 F\n0.634188 0.884646 0.656293 F\n0.090997 0.345752 0.536846 F\n",
"nsites": 56,
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"B",
"Xe",
"F"
],
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"formula_full": "Cd4 B8 Xe4 F40",
"formula_reduced": "CdB2XeF10",
"formula_anonymous": "ABC2D10",
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"spacegroup": 14
},
{
"id": "jvasp-22460",
"created_at": "2022-09-04T14:37:56.416913Z",
"updated_at": "2022-09-04T14:37:56.416943Z",
"structure_string": "Li8 Ge8\n1.0\n5.269471 0.000000 2.208896\n2.634737 6.977515 1.104445\n-0.062740 0.000004 7.539457\nLi Ge\n8 8\ndirect\n0.465804 0.193846 0.535866 Li\n0.001670 0.964135 0.193845 Li\n0.159650 0.535866 0.306154 Li\n0.195516 0.306154 0.964135 Li\n0.534196 0.806154 0.464134 Li\n-0.001670 0.035865 0.806154 Li\n0.840350 0.464134 0.693846 Li\n0.804484 0.693846 0.035866 Li\n0.061489 0.159177 0.447682 Ge\n0.509171 0.052318 0.159177 Ge\n0.720667 0.447682 0.340823 Ge\n0.668349 0.340823 0.052318 Ge\n0.938511 0.840823 0.552318 Ge\n0.490829 0.947682 0.840823 Ge\n0.279333 0.552318 0.659177 Ge\n0.331651 0.659177 0.947682 Ge\n",
"nsites": 16,
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"elements": [
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"Ge"
],
"chemical_system": "Ge-Li",
"density": 3.8003911760303217,
"density_atomic": 0.057517474304232465,
"volume": 278.1763315157013,
"volume_molar": 10.470106403049858,
"formula_full": "Li8 Ge8",
"formula_reduced": "LiGe",
"formula_anonymous": "AB",
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"spacegroup": 88
},
{
"id": "jvasp-2649",
"created_at": "2022-09-04T14:37:04.356600Z",
"updated_at": "2022-09-04T14:37:04.356627Z",
"structure_string": "Ba2 P6\n1.0\n4.537413 0.005236 1.554668\n1.454396 6.297278 2.799508\n0.007609 -0.008672 7.043301\nBa P\n2 6\ndirect\n0.315560 0.826592 0.826592 Ba\n0.684440 0.173409 0.173408 Ba\n0.015469 0.593273 0.593272 P\n0.984531 0.406728 0.406728 P\n0.710882 0.648780 0.181645 P\n0.289118 0.818355 0.351220 P\n0.289118 0.351221 0.818355 P\n0.710882 0.181646 0.648780 P\n",
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"volume": 201.21324192256537,
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"formula_full": "Ba2 P6",
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"spacegroup": 12
},
{
"id": "jvasp-101477",
"created_at": "2022-09-04T14:36:34.511625Z",
"updated_at": "2022-09-04T14:36:34.511658Z",
"structure_string": "Li1 Ca1 Sb1\n1.0\n4.076494 -0.000000 2.353565\n1.358831 3.843356 2.353565\n0.000000 -0.000000 4.707130\nLi Ca Sb\n1 1 1\ndirect\n0.749999 0.750001 0.750002 Li\n0.499999 0.500001 0.500001 Ca\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-56286",
"created_at": "2022-09-04T14:37:50.907916Z",
"updated_at": "2022-09-04T14:37:50.907945Z",
"structure_string": "Li1 Zn1 P1\n1.0\n3.461420 -0.000000 1.998452\n1.153807 3.263458 1.998452\n-0.000000 -0.000000 3.996904\nLi Zn P\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 P\n",
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],
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{
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"created_at": "2022-09-04T14:38:40.009549Z",
"updated_at": "2022-09-04T14:38:40.009565Z",
"structure_string": "Rb1 Cr5 S8\n1.0\n3.433670 -0.000000 -0.671529\n-0.428924 8.381000 -2.193183\n0.004231 0.014617 9.135942\nRb Cr S\n1 5 8\ndirect\n0.499984 0.500021 0.999966 Rb\n0.296177 0.664469 0.592354 Cr\n0.703815 0.335525 0.407628 Cr\n0.341390 0.026155 0.682779 Cr\n0.658617 0.973845 0.317233 Cr\n0.000003 0.000000 0.000005 Cr\n0.238026 0.156999 0.476050 S\n0.761982 0.843015 0.523964 S\n0.171145 0.488956 0.342288 S\n0.828844 0.511041 0.657688 S\n0.086477 0.828512 0.172952 S\n0.913543 0.171485 0.827086 S\n0.423820 0.849409 0.847639 S\n0.576184 0.150570 0.152367 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.8000291629287855,
"density_atomic": 0.05322212934940034,
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"formula_full": "Rb1 Cr5 S8",
"formula_reduced": "RbCr5S8",
"formula_anonymous": "AB5C8",
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"spacegroup": 12
}
]
}