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{
"id": "jvasp-50449",
"created_at": "2022-09-04T14:37:14.478333Z",
"updated_at": "2022-09-04T14:37:14.478351Z",
"structure_string": "Sr2 Sc4 O8\n1.0\n1.597241 5.244009 -0.000000\n-1.597241 5.244009 -0.000000\n0.000000 0.000000 10.646230\nSr Sc O\n2 4 8\ndirect\n0.111852 0.111852 0.250000 Sr\n0.888148 0.888148 0.750000 Sr\n0.365122 0.365122 0.429509 Sc\n0.634878 0.634878 0.570491 Sc\n0.365122 0.365122 0.070491 Sc\n0.634878 0.634878 0.929509 Sc\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.262980 0.262980 0.604865 O\n0.435441 0.435441 0.250000 O\n0.564559 0.564559 0.750000 O\n0.737021 0.737021 0.395135 O\n0.262980 0.262980 0.895135 O\n0.737021 0.737021 0.104865 O\n",
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{
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"structure_string": "Er4 Cu2 O8\n1.0\n5.451088 -0.000000 -0.000000\n0.000000 2.727450 5.828267\n-0.000000 -5.454902 -0.000000\nEr Cu O\n4 2 8\ndirect\n0.000000 0.309050 0.654526 Er\n0.000000 0.690951 0.345474 Er\n0.500000 0.690951 0.845474 Er\n0.500000 0.309050 0.154526 Er\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.198817 0.000000 0.301966 O\n0.250000 0.500000 0.990172 O\n0.250000 0.500000 0.490172 O\n0.301183 0.000000 0.801965 O\n0.698817 0.000000 0.198034 O\n0.750000 0.500000 0.509828 O\n0.750000 0.500000 0.009828 O\n0.801183 0.000000 0.698034 O\n",
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{
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"updated_at": "2022-09-04T14:37:15.167727Z",
"structure_string": "Rb3 Na1 Ru2 O8\n1.0\n3.027455 -5.243706 -0.000000\n3.027455 5.243706 0.000000\n0.000000 0.000000 7.938523\nRb Na Ru O\n3 1 2 8\ndirect\n0.666666 0.333332 0.649827 Rb\n0.000000 0.000000 0.000000 Rb\n0.333332 0.666666 0.350173 Rb\n0.000000 0.000000 0.500000 Na\n0.666666 0.333332 0.214967 Ru\n0.333332 0.666666 0.785033 Ru\n0.176096 0.823902 0.693905 O\n0.647804 0.823902 0.693905 O\n0.176097 0.352194 0.693905 O\n0.823902 0.176096 0.306095 O\n0.823902 0.647804 0.306095 O\n0.352194 0.176097 0.306095 O\n0.666666 0.333332 -0.006936 O\n0.333332 0.666666 0.006936 O\n",
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"density": 4.015663264399856,
"density_atomic": 0.05554465864133596,
"volume": 252.0494380999093,
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"formula_full": "Rb3 Na1 Ru2 O8",
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{
"id": "jvasp-10165",
"created_at": "2022-09-04T14:37:14.350326Z",
"updated_at": "2022-09-04T14:37:14.350340Z",
"structure_string": "Mg2 Bi4 O8\n1.0\n3.394785 -0.000123 -0.000244\n-1.697146 6.489274 -0.039858\n-1.696940 -2.635635 9.637795\nMg Bi O\n2 4 8\ndirect\n0.490218 0.733389 0.239100 Mg\n0.490255 0.233549 0.739020 Mg\n0.692202 0.296949 0.079554 Bi\n0.692327 0.797070 0.579689 Bi\n0.288108 0.169867 0.398426 Bi\n0.288239 0.669988 0.898562 Bi\n0.655520 0.552507 0.750627 O\n0.655361 0.052294 0.250525 O\n0.325073 0.914643 0.727589 O\n0.324918 0.414429 0.227487 O\n0.110748 0.325656 0.887900 O\n0.110697 0.825559 0.387900 O\n0.869692 0.641277 0.090213 O\n0.869741 0.141377 0.590213 O\n",
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{
"id": "jvasp-11194",
"created_at": "2022-09-04T14:37:14.320962Z",
"updated_at": "2022-09-04T14:37:14.320983Z",
"structure_string": "K6 Ge2 Se6\n1.0\n7.580819 0.010392 -2.024080\n-3.257610 6.845209 -2.024080\n0.008233 0.013057 8.431753\nK Ge Se\n6 2 6\ndirect\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 0.000000 K\n0.210134 0.210134 0.680795 K\n0.789866 0.789866 0.319205 K\n0.660212 0.339788 0.500000 K\n0.339787 0.660213 0.500000 K\n0.117606 0.117606 0.152759 Ge\n0.882394 0.882395 0.847241 Ge\n0.374190 0.374190 0.132197 Se\n0.625810 0.625811 0.867803 Se\n0.946410 0.252703 0.304978 Se\n0.747296 0.053590 0.695022 Se\n0.053590 0.747297 0.695022 Se\n0.252703 0.946410 0.304978 Se\n",
"nsites": 14,
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"formula_full": "K6 Ge2 Se6",
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{
"id": "jvasp-10571",
"created_at": "2022-09-04T14:37:15.302444Z",
"updated_at": "2022-09-04T14:37:15.302452Z",
"structure_string": "Rb2 Sb4 Se8\n1.0\n6.473446 0.147010 -0.005126\n1.835547 6.891353 -0.052938\n0.816405 1.464322 9.575227\nRb Sb Se\n2 4 8\ndirect\n0.175400 0.185223 0.560155 Rb\n0.824601 0.814776 0.439845 Rb\n0.844072 0.812856 0.955276 Sb\n0.155929 0.187144 0.044724 Sb\n0.446196 0.598505 0.167275 Sb\n0.553805 0.401494 0.832725 Sb\n0.228302 0.852447 0.880265 Se\n0.771698 0.147552 0.119735 Se\n0.320611 0.933091 0.273628 Se\n0.679390 0.066908 0.726372 Se\n0.390971 0.600292 0.584256 Se\n0.609030 0.399707 0.415744 Se\n0.084934 0.491330 0.212880 Se\n0.915067 0.508670 0.787120 Se\n",
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"formula_full": "Rb2 Sb4 Se8",
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{
"id": "jvasp-9868",
"created_at": "2022-09-04T14:37:14.319606Z",
"updated_at": "2022-09-04T14:37:14.319633Z",
"structure_string": "Ca2 Ag4 O8\n1.0\n5.967650 0.003074 0.001425\n-0.002472 5.967434 -0.003137\n-2.983692 -2.982542 5.061890\nCa Ag O\n2 4 8\ndirect\n0.874996 0.124997 0.749997 Ca\n0.125004 0.874999 0.249999 Ca\n0.500001 0.500000 0.500001 Ag\n-0.000001 0.500000 0.500001 Ag\n0.500002 0.000002 0.000002 Ag\n0.500000 0.499999 0.000002 Ag\n0.724153 0.826786 0.853774 O\n0.472998 0.275842 0.646220 O\n0.173221 0.870368 0.646208 O\n0.870382 0.473012 0.146217 O\n0.826782 0.129631 0.353793 O\n0.527002 0.724157 0.353782 O\n0.129621 0.526987 0.853782 O\n0.275846 0.173212 0.146225 O\n",
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{
"id": "jvasp-30358",
"created_at": "2022-09-04T14:37:14.232784Z",
"updated_at": "2022-09-04T14:37:14.232804Z",
"structure_string": "Ti1 V2 Cr1 O10\n1.0\n6.625328 -0.000000 0.000000\n0.000000 6.625328 -0.000000\n-0.000000 -0.000000 4.158000\nTi V Cr O\n1 2 1 10\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.250000 0.644494 V\n0.750000 0.750000 0.355506 V\n0.250000 0.750000 0.500000 Cr\n0.045478 0.750000 0.269983 O\n0.250000 0.250000 0.254726 O\n0.250000 0.545478 0.730017 O\n0.250000 0.954523 0.730017 O\n0.454523 0.750000 0.269983 O\n0.517716 0.250000 0.742626 O\n0.750000 0.017716 0.257374 O\n0.750000 0.482284 0.257374 O\n0.750000 0.750000 0.745274 O\n0.982284 0.250000 0.742626 O\n",
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"volume": 182.5152898653343,
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"formula_full": "Ti1 V2 Cr1 O10",
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{
"id": "jvasp-9961",
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"updated_at": "2022-09-04T14:37:14.203012Z",
"structure_string": "Ca2 V4 O8\n1.0\n3.033815 0.000000 0.000000\n-1.516908 4.847768 0.000000\n0.000000 -0.000000 10.036131\nCa V O\n2 4 8\ndirect\n0.383182 0.766363 0.750000 Ca\n0.616819 0.233637 0.250000 Ca\n0.870974 0.741947 0.068316 V\n0.129027 0.258054 0.931684 V\n0.870974 0.741947 0.431684 V\n0.129027 0.258054 0.568316 V\n0.232989 0.465979 0.393615 O\n0.767012 0.534022 0.606385 O\n0.767012 0.534022 0.893615 O\n0.232989 0.465979 0.106385 O\n0.934502 0.869004 0.250000 O\n0.065499 0.130997 0.750000 O\n0.500001 0.000000 0.000000 O\n0.500001 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:14.196415Z",
"updated_at": "2022-09-04T14:37:14.196441Z",
"structure_string": "Al2 H6 O6\n1.0\n4.796775 0.076284 1.067026\n2.115550 4.349688 1.847419\n-0.376754 0.353489 5.139219\nAl H O\n2 6 6\ndirect\n0.671227 0.659884 0.000565 Al\n0.352032 0.301771 0.002513 Al\n0.624519 0.153022 0.577170 H\n0.390831 0.812554 0.414986 H\n-0.061062 0.292582 0.762473 H\n0.040558 0.522169 0.393557 H\n0.142812 0.859763 0.780881 H\n0.876820 0.079066 0.230366 H\n0.650524 0.069304 0.786135 O\n0.380086 0.896634 0.205619 O\n-0.011725 0.450836 0.772047 O\n0.032081 0.517322 0.206473 O\n0.360102 0.700669 0.776149 O\n0.665569 0.256908 0.217844 O\n",
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{
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"created_at": "2022-09-04T14:37:15.496374Z",
"updated_at": "2022-09-04T14:37:15.496394Z",
"structure_string": "Mg4 Si2 O8\n1.0\n4.753876 -0.000033 -0.000058\n0.000000 5.291152 -3.043863\n-0.000097 -0.009687 6.103902\nMg Si O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.097775 0.666670 0.333340 Si\n0.902225 0.333330 0.666659 Si\n0.241927 0.333326 0.666653 O\n0.741696 0.190207 0.809804 O\n0.741696 0.619596 0.809804 O\n0.258332 0.809810 0.619622 O\n0.758073 0.666674 0.333347 O\n0.258304 0.809792 0.190196 O\n0.258304 0.380403 0.190196 O\n0.741669 0.190189 0.380378 O\n",
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"formula_full": "Mg4 Si2 O8",
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"spacegroup": 164
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{
"id": "jvasp-10169",
"created_at": "2022-09-04T14:37:14.173218Z",
"updated_at": "2022-09-04T14:37:14.173226Z",
"structure_string": "Mg2 Sb4 O8\n1.0\n3.278033 -0.000044 -0.000368\n-1.638976 6.465510 -0.027507\n-1.637348 -2.953296 9.648151\nMg Sb O\n2 4 8\ndirect\n0.517915 0.266416 0.760971 Mg\n0.517478 0.766645 0.260910 Mg\n0.311009 0.694604 0.918960 Sb\n0.310519 0.194765 0.419110 Sb\n0.724868 0.838297 0.602776 Sb\n0.724378 0.338457 0.102927 Sb\n0.342188 0.438217 0.238710 O\n0.342449 0.937939 0.738588 O\n0.692943 0.095126 0.283298 O\n0.693202 0.594848 0.783176 O\n0.891197 0.659518 0.115309 O\n0.891535 0.159401 0.615314 O\n0.144192 0.373544 0.906575 O\n0.143857 0.873661 0.406571 O\n",
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}
]
}