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{
"id": "jvasp-120510",
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"updated_at": "2022-09-04T14:38:52.473335Z",
"structure_string": "Nb4 Cu1 Se8\n1.0\n12.912901 -0.046461 2.994247\n12.446357 3.439969 2.994247\n-0.000999 -0.000134 6.077961\nNb Cu Se\n4 1 8\ndirect\n0.373489 0.373491 0.639303 Nb\n0.873883 0.873884 0.115436 Nb\n0.626509 0.626511 0.360698 Nb\n0.126116 0.126118 0.884564 Nb\n0.000000 0.000000 0.000000 Cu\n0.941132 0.941135 0.717972 Se\n0.438401 0.438402 0.236141 Se\n0.561597 0.561599 0.763859 Se\n0.058866 0.058867 0.282029 Se\n0.690089 0.690091 0.642084 Se\n0.193150 0.193150 0.140142 Se\n0.806849 0.806852 0.859859 Se\n0.309909 0.309910 0.357916 Se\n",
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{
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"structure_string": "Ba1 Se2\n1.0\n3.874543 -4.826761 -0.853514\n2.242829 3.884690 -0.000000\n-1.606742 0.927653 4.048034\nBa Se\n1 2\ndirect\n0.000000 0.333336 0.166667 Ba\n0.747917 0.707290 0.457671 Se\n0.252083 -0.040626 0.875662 Se\n",
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{
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"updated_at": "2022-09-04T14:38:52.377531Z",
"structure_string": "Be1 Se2\n1.0\n1.877869 -3.171343 -0.705942\n1.807530 3.130732 -0.000000\n-0.808039 0.466521 5.179584\nBe Se\n1 2\ndirect\n0.000000 0.333355 0.166667 Be\n0.798875 0.732760 0.411344 Se\n0.201124 -0.066116 0.921988 Se\n",
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{
"id": "jvasp-123650",
"created_at": "2022-09-04T14:38:52.448890Z",
"updated_at": "2022-09-04T14:38:52.448918Z",
"structure_string": "Ca1 Se2\n1.0\n2.385590 -3.907934 -1.001012\n2.191577 3.795921 -0.000001\n-1.159992 0.669721 5.514774\nCa Se\n1 2\ndirect\n0.000000 0.333354 0.166667 Ca\n0.804720 0.735684 0.428224 Se\n0.195280 -0.069037 0.905109 Se\n",
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"elements": [
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"density": 3.601382648053306,
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"volume": 91.29366308420117,
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"formula_full": "Ca1 Se2",
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"spacegroup": 12
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{
"id": "jvasp-123653",
"created_at": "2022-09-04T14:38:52.465480Z",
"updated_at": "2022-09-04T14:38:52.465506Z",
"structure_string": "Se2 Cl1\n1.0\n1.899876 -3.501769 -0.076548\n2.082684 3.607313 -0.000000\n-0.069966 0.040395 5.253621\nSe Cl\n2 1\ndirect\n0.713904 0.690273 0.541355 Se\n0.286096 -0.023630 0.791977 Se\n-0.000000 0.333354 0.166667 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:52.484532Z",
"structure_string": "Au1 C2\n1.0\n5.200917 -0.116231 0.159918\n-2.657260 -3.316420 -0.260394\n-1.823733 0.173142 -2.534919\nAu C\n1 2\ndirect\n0.837617 0.782591 -0.078384 Au\n0.491271 0.782645 0.053018 C\n0.183945 0.782527 0.790212 C\n",
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{
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"updated_at": "2022-09-04T14:38:52.610951Z",
"structure_string": "Ge3 I1\n1.0\n4.593680 -0.736811 0.529654\n3.928038 -6.855997 1.121821\n0.608872 0.920788 -3.938272\nGe I\n3 1\ndirect\n0.831362 0.114066 0.042917 Ge\n0.404650 0.673798 0.822489 Ge\n0.979240 0.233727 0.602203 Ge\n0.905235 0.673728 0.322487 I\n",
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{
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"created_at": "2022-09-04T14:38:52.658018Z",
"updated_at": "2022-09-04T14:38:52.658042Z",
"structure_string": "In1 Se2\n1.0\n2.127837 -3.526782 -0.326345\n1.990365 3.447412 -0.000000\n-0.407384 0.235203 5.440645\nIn Se\n1 2\ndirect\n0.000001 0.333338 0.166667 In\n0.734228 0.700446 0.447707 Se\n0.265775 -0.033781 0.885626 Se\n",
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"formula_full": "In1 Se2",
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"spacegroup": 12
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{
"id": "jvasp-120522",
"created_at": "2022-09-04T14:38:52.518107Z",
"updated_at": "2022-09-04T14:38:52.518136Z",
"structure_string": "Li2 Co4 O8\n1.0\n2.787963 -0.000000 0.418755\n-0.051780 4.835931 0.344736\n-0.021993 0.038766 9.636576\nLi Co O\n2 4 8\ndirect\n0.627113 0.544164 0.745776 Li\n0.872886 0.955836 0.254226 Li\n0.495846 0.496760 0.008309 Co\n0.004155 0.003241 0.991692 Co\n0.250000 0.750000 0.500001 Co\n0.750000 0.250000 0.500001 Co\n0.051495 0.672424 0.897012 O\n0.551833 0.191156 0.896336 O\n0.448506 0.827577 0.102989 O\n0.948167 0.308844 0.103666 O\n0.302306 0.096900 0.395388 O\n0.800715 0.601138 0.398571 O\n0.197694 0.403101 0.604613 O\n0.699285 0.898863 0.601431 O\n",
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"volume": 129.93057881291006,
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"formula_full": "Li2 Co4 O8",
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{
"id": "jvasp-118981",
"created_at": "2022-09-04T14:38:52.544312Z",
"updated_at": "2022-09-04T14:38:52.544346Z",
"structure_string": "Li4 Co2 O6\n1.0\n2.746274 0.091965 -0.662850\n-0.515235 5.578561 -1.378033\n0.060679 0.023588 6.286607\nLi Co O\n4 2 6\ndirect\n0.658991 0.339406 0.817552 Li\n0.341006 0.660594 0.182448 Li\n0.000000 0.000000 0.500000 Li\n-0.000001 0.500000 0.500000 Li\n0.662792 0.826806 0.825429 Co\n0.337205 0.173193 0.174572 Co\n0.171258 0.614296 0.841970 O\n0.826099 0.939471 0.151811 O\n0.488749 0.243330 0.477500 O\n0.173898 0.060528 0.848189 O\n0.828739 0.385703 0.158030 O\n0.511248 0.756669 0.522500 O\n",
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{
"id": "jvasp-119480",
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"structure_string": "Ta4 Ti2 O12\n1.0\n5.350590 0.002457 1.893228\n0.979224 5.260223 1.893228\n-0.004283 -0.003561 7.410144\nTa Ti O\n4 2 12\ndirect\n0.321128 0.321128 0.177568 Ta\n0.678872 0.678872 0.822432 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.346507 0.346507 0.650764 Ti\n0.653493 0.653493 0.349236 Ti\n0.383469 0.960080 0.330200 O\n0.616531 0.039920 0.669800 O\n0.299813 0.700186 0.000000 O\n0.960080 0.383470 0.330200 O\n0.094207 0.094207 0.702781 O\n0.905792 0.905793 0.297219 O\n0.434901 0.434902 0.356021 O\n0.700186 0.299814 0.000000 O\n0.565098 0.565098 0.643979 O\n0.229992 0.229992 0.969379 O\n0.770007 0.770008 0.030621 O\n0.039920 0.616531 0.669800 O\n",
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{
"id": "jvasp-123669",
"created_at": "2022-09-04T14:38:52.596298Z",
"updated_at": "2022-09-04T14:38:52.596327Z",
"structure_string": "Hg1 Se2\n1.0\n2.454608 -3.768489 -0.597334\n2.036305 3.526982 -0.000000\n-0.764608 0.441446 5.224453\nHg Se\n1 2\ndirect\n0.000000 0.333354 0.166667 Hg\n0.782240 0.724444 0.450446 Se\n0.217760 -0.057796 0.882888 Se\n",
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