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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3553",
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{
"id": "jvasp-9250",
"created_at": "2022-09-04T14:38:10.883176Z",
"updated_at": "2022-09-04T14:38:10.883198Z",
"structure_string": "Ti4 Zn4 O8\n1.0\n2.901239 -0.027463 0.014376\n0.680348 7.540904 0.014090\n1.297477 1.044626 8.314497\nTi Zn O\n4 4 8\ndirect\n0.515509 0.291782 0.587518 Ti\n0.106520 0.433950 0.252404 Ti\n0.889526 0.545965 0.775800 Ti\n0.480537 0.688136 0.440684 Ti\n0.498595 0.062671 0.296644 Zn\n0.497429 0.917247 0.731557 Zn\n0.318766 0.842122 0.067031 Zn\n0.677242 0.137793 0.961171 Zn\n0.901080 0.741660 0.597835 O\n0.410770 0.361314 0.815754 O\n0.585272 0.618603 0.212449 O\n0.094966 0.238261 0.430370 O\n-0.017074 0.102710 0.713997 O\n0.686482 0.289853 0.152040 O\n0.013111 0.877208 0.314205 O\n0.309559 0.690062 0.876166 O\n",
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{
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"updated_at": "2022-09-04T14:37:16.621870Z",
"structure_string": "Ti1 Zn1 O3\n1.0\n3.839824 -0.000000 0.000000\n-0.000000 3.839824 -0.000000\n0.000000 -0.000000 3.839824\nTi Zn O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-30523",
"created_at": "2022-09-04T14:37:15.045987Z",
"updated_at": "2022-09-04T14:37:15.046001Z",
"structure_string": "Ti8 Zn2 O18\n1.0\n4.723199 -0.000000 -0.000000\n0.000000 8.351088 0.000000\n-0.000000 -0.000000 8.351088\nTi Zn O\n8 2 18\ndirect\n0.656256 0.536735 0.343262 Ti\n0.343746 0.843262 0.463266 Ti\n0.656256 0.343262 0.963266 Ti\n0.343746 0.036734 0.843262 Ti\n0.656256 0.963266 0.156738 Ti\n0.656256 0.156739 0.536735 Ti\n0.343746 0.463266 0.656738 Ti\n0.343746 0.656738 0.036734 Ti\n0.894356 0.750000 0.749999 Zn\n0.105645 0.250000 0.250000 Zn\n0.492498 0.855168 0.957921 O\n0.492498 0.542079 0.855168 O\n0.507501 0.457921 0.144832 O\n0.507501 0.355168 0.457921 O\n0.507501 0.144831 0.042080 O\n0.507501 0.042079 0.355168 O\n0.007456 0.183561 0.486973 O\n0.007456 0.013027 0.183561 O\n0.992545 0.513028 0.683561 O\n0.007456 0.316439 0.013027 O\n0.992545 0.816439 0.513027 O\n0.992545 0.986974 0.816439 O\n0.492498 0.644832 0.542079 O\n0.992545 0.683562 0.986974 O\n0.499999 0.250001 0.750000 O\n0.499999 0.750000 0.250000 O\n0.007456 0.486973 0.316439 O\n0.492498 0.957920 0.644832 O\n",
"nsites": 28,
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"volume": 329.399066505109,
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"formula_full": "Ti8 Zn2 O18",
"formula_reduced": "Ti4ZnO9",
"formula_anonymous": "AB4C9",
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"spacegroup": 85
},
{
"id": "jvasp-11323",
"created_at": "2022-09-04T14:37:16.738331Z",
"updated_at": "2022-09-04T14:37:16.738345Z",
"structure_string": "Ti3 Zn2 O8\n1.0\n4.659840 -0.336335 -2.079776\n-0.884990 5.259819 -2.833466\n-0.648888 -0.086285 6.479391\nTi Zn O\n3 2 8\ndirect\n0.500000 0.999999 -0.000001 Ti\n0.999999 0.734174 -0.000002 Ti\n0.999999 0.265824 -0.000001 Ti\n0.715359 0.685531 0.371061 Zn\n0.284639 0.314469 0.628937 Zn\n0.005152 0.389581 0.779165 O\n0.994847 0.610416 0.220833 O\n0.028055 0.889373 0.778747 O\n0.971944 0.110624 0.221250 O\n0.454867 0.338049 0.212711 O\n0.454867 0.874661 0.212710 O\n0.545133 0.125336 0.787287 O\n0.545133 0.661949 0.787287 O\n",
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"elements": [
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"density": 4.519125040030398,
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"volume": 147.86590194682702,
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"formula_full": "Ti3 Zn2 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 12
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{
"id": "jvasp-81535",
"created_at": "2022-09-04T14:37:13.497774Z",
"updated_at": "2022-09-04T14:37:13.497797Z",
"structure_string": "Ti2 Zn1 Os1\n1.0\n-8.847980 0.000001 -5.108382\n-5.653357 -1.046921 -0.424865\n-4.340255 2.667091 -2.699224\nTi Zn Os\n2 1 1\ndirect\n0.742495 0.000001 0.000000 Ti\n0.257504 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
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"density": 8.94796357562749,
"density_atomic": 0.061343240586389354,
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"formula_full": "Ti2 Zn1 Os1",
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"spacegroup": 71
},
{
"id": "jvasp-100511",
"created_at": "2022-09-04T14:37:01.585078Z",
"updated_at": "2022-09-04T14:37:01.585098Z",
"structure_string": "Ti1 Zn2 Pd1\n1.0\n3.783806 -0.000000 2.184582\n1.261269 3.567407 2.184582\n0.000000 -0.000000 4.369163\nTi Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750001 0.749998 Zn\n0.500000 0.500000 0.499999 Pd\n",
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"elements": [
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"Zn",
"Pd"
],
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"density": 8.027386289224017,
"density_atomic": 0.06782350388145711,
"volume": 58.9766050275323,
"volume_molar": 8.879135425568078,
"formula_full": "Ti1 Zn2 Pd1",
"formula_reduced": "TiZn2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-41286",
"created_at": "2022-09-04T14:37:49.618887Z",
"updated_at": "2022-09-04T14:37:49.618916Z",
"structure_string": "Ti1 Zn1 Pd2\n1.0\n0.000000 3.112410 3.112410\n3.112410 0.000000 3.112410\n3.112410 3.112410 0.000000\nTi Zn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
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"density_atomic": 0.06633451980551706,
"volume": 60.30042897314105,
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"formula_full": "Ti1 Zn1 Pd2",
"formula_reduced": "TiZnPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-42884",
"created_at": "2022-09-04T14:36:04.713535Z",
"updated_at": "2022-09-04T14:36:04.713557Z",
"structure_string": "Ti1 Zn1 Pt2\n1.0\n0.000003 3.129810 3.129804\n3.129807 0.000004 3.129804\n3.129809 3.129810 0.000002\nTi Zn Pt\n1 1 2\ndirect\n0.249999 0.250000 0.250000 Ti\n0.749998 0.749999 0.750001 Zn\n0.000000 0.000000 0.000000 Pt\n0.499998 0.499999 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"volume": 61.31718131941625,
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"formula_full": "Ti1 Zn1 Pt2",
"formula_reduced": "TiZnPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40060",
"created_at": "2022-09-04T14:37:46.484296Z",
"updated_at": "2022-09-04T14:37:46.484329Z",
"structure_string": "Ti2 Zn1 Re1\n1.0\n-0.000000 3.128111 3.128111\n3.128111 -0.000000 3.128111\n3.128111 3.128111 0.000000\nTi Zn Re\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Zn\n0.249999 0.249999 0.249999 Re\n",
"nsites": 4,
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"elements": [
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"Zn",
"Re"
],
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"density": 9.421931416645425,
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"volume": 61.21762293498727,
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"formula_full": "Ti2 Zn1 Re1",
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"formula_anonymous": "ABC2",
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{
"id": "jvasp-79835",
"created_at": "2022-09-04T14:37:12.063169Z",
"updated_at": "2022-09-04T14:37:12.063191Z",
"structure_string": "Ti1 Zn1 Rh2\n1.0\n-0.000001 3.047532 3.047525\n3.047518 0.000004 3.047519\n3.047517 3.047525 0.000005\nTi Zn Rh\n1 1 2\ndirect\n0.249999 0.250001 0.250002 Ti\n0.749998 0.750004 0.749999 Zn\n0.000001 1.000003 0.999998 Rh\n0.499999 0.500004 0.499997 Rh\n",
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"formula_full": "Ti1 Zn1 Rh2",
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"spacegroup": 225
},
{
"id": "jvasp-59867",
"created_at": "2022-09-04T14:38:36.784809Z",
"updated_at": "2022-09-04T14:38:36.784830Z",
"structure_string": "Ti4 Zn2 S8\n1.0\n7.051031 -0.024921 -0.003800\n-0.110139 7.050314 -0.000768\n-3.512181 -3.468476 5.035844\nTi Zn S\n4 2 8\ndirect\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 0.499999 0.499999 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000000 0.500000 Zn\n0.240776 0.249131 0.991639 S\n0.249295 0.743887 0.994563 S\n0.757480 0.249146 0.508370 S\n0.750682 0.745247 0.494560 S\n0.242519 0.750852 0.491629 S\n0.750704 0.256111 0.005436 S\n0.249317 0.254752 0.505439 S\n0.759223 0.750868 0.008360 S\n",
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"volume": 250.213570059921,
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"formula_full": "Ti4 Zn2 S8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
},
{
"id": "jvasp-11048",
"created_at": "2022-09-04T14:37:28.232872Z",
"updated_at": "2022-09-04T14:37:28.232898Z",
"structure_string": "Ti4 Zn1 S8\n1.0\n6.963072 0.039113 0.027656\n3.515408 6.088865 0.000000\n3.515408 2.029622 5.740638\nTi Zn S\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Ti\n0.500000 0.499999 0.000000 Ti\n0.500000 0.499999 0.500001 Ti\n0.500000 -0.000001 0.500001 Ti\n0.500000 -0.000000 0.000000 Zn\n0.251190 0.252204 0.252205 S\n0.251190 0.252204 0.744402 S\n0.251190 0.744401 0.252205 S\n0.742099 0.252633 0.252634 S\n0.257902 0.747365 0.747367 S\n0.748811 0.747794 0.255599 S\n0.748811 0.255597 0.747796 S\n0.748811 0.747794 0.747796 S\n",
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],
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"formula_full": "Ti4 Zn1 S8",
"formula_reduced": "Ti4ZnS8",
"formula_anonymous": "AB4C8",
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"spacegroup": 166
}
]
}