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{
"id": "jvasp-117790",
"created_at": "2022-09-04T14:38:48.487051Z",
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"structure_string": "I1 Br2\n1.0\n4.174890 0.180665 -0.588499\n1.402465 -6.527719 0.129747\n1.313114 0.397466 -3.987024\nI Br\n1 2\ndirect\n0.054249 0.045692 0.899089 I\n0.350793 0.348973 0.560941 Br\n0.757678 0.742389 0.237271 Br\n",
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{
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"structure_string": "Na1 Al1 H4\n1.0\n3.372831 0.000000 0.000000\n0.000000 3.372831 0.000000\n0.000000 0.000000 5.785178\nNa Al H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.201910 H\n0.500000 0.500000 0.798091 H\n",
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{
"id": "jvasp-111010",
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"structure_string": "Sb1 Pb1 Br1 O2\n1.0\n3.771619 0.012342 -5.990649\n-0.303684 3.759394 -5.990649\n-0.011347 -0.012342 7.079044\nSb Pb Br O\n1 1 1 2\ndirect\n0.328855 0.328854 -0.000000 Sb\n0.639504 0.639502 -0.000000 Pb\n0.998571 0.998568 -0.000001 Br\n0.754437 0.254436 0.499999 O\n0.254437 0.754436 0.499999 O\n",
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{
"id": "jvasp-117861",
"created_at": "2022-09-04T14:38:48.491777Z",
"updated_at": "2022-09-04T14:38:48.491800Z",
"structure_string": "Pb1 Br2\n1.0\n4.229494 0.000000 0.000000\n0.000000 4.311977 0.000000\n0.000000 0.000000 7.817159\nPb Br\n1 2\ndirect\n0.466445 0.000000 0.000000 Pb\n-0.033223 0.000000 0.737941 Br\n-0.033223 0.000000 0.262060 Br\n",
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"spacegroup": 47
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{
"id": "jvasp-110758",
"created_at": "2022-09-04T14:38:48.496379Z",
"updated_at": "2022-09-04T14:38:48.496412Z",
"structure_string": "Ca2 Ge4 Pt4\n1.0\n4.343957 0.000000 0.000000\n0.000000 4.343989 0.003420\n0.000000 -0.007852 10.233111\nCa Ge Pt\n2 4 4\ndirect\n0.254406 0.249989 0.750539 Ca\n0.754406 0.750012 0.249461 Ca\n0.754326 0.750033 0.629426 Ge\n0.754464 0.249998 -0.000000 Ge\n0.254464 0.750003 0.000000 Ge\n0.254326 0.249967 0.370574 Ge\n0.254338 0.749958 0.500020 Pt\n0.754469 0.750007 0.870335 Pt\n0.254469 0.249993 0.129665 Pt\n0.754339 0.250043 0.499980 Pt\n",
"nsites": 10,
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"elements": [
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"density": 9.89832842274743,
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"volume": 193.09995910981652,
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"formula_full": "Ca2 Ge4 Pt4",
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{
"id": "jvasp-111236",
"created_at": "2022-09-04T14:38:48.499205Z",
"updated_at": "2022-09-04T14:38:48.499228Z",
"structure_string": "Rb2 Li1 Ga1 F6\n1.0\n5.015136 -0.000000 2.895490\n1.671712 4.728315 2.895490\n-0.000000 -0.000000 5.790980\nRb Li Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750000 Rb\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Ga\n0.236885 0.236885 0.763115 F\n0.236884 0.763116 0.763115 F\n0.763116 0.763116 0.236884 F\n0.236884 0.763116 0.236884 F\n0.763116 0.236885 0.763115 F\n0.763116 0.236885 0.236884 F\n",
"nsites": 10,
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{
"id": "jvasp-113710",
"created_at": "2022-09-04T14:38:48.501908Z",
"updated_at": "2022-09-04T14:38:48.501934Z",
"structure_string": "Sr1 Pt1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nSr Pt O\n1 1 1\ndirect\n-0.036521 0.338048 0.000000 Sr\n0.377092 -0.040772 0.000000 Pt\n-0.122354 -0.054482 0.000000 O\n",
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{
"id": "jvasp-120369",
"created_at": "2022-09-04T14:38:48.503430Z",
"updated_at": "2022-09-04T14:38:48.503460Z",
"structure_string": "As1 C2\n1.0\n4.275543 0.000000 -0.056082\n0.000000 3.061485 0.000000\n0.045780 0.000000 3.543382\nAs C\n1 2\ndirect\n0.466693 0.000000 0.015129 As\n-0.178898 0.000000 -0.307551 C\n0.112204 0.000000 0.692422 C\n",
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{
"id": "jvasp-117792",
"created_at": "2022-09-04T14:38:48.505583Z",
"updated_at": "2022-09-04T14:38:48.505608Z",
"structure_string": "I2 Br1\n1.0\n4.349434 -1.049828 0.813130\n-0.641091 -4.245619 -0.266414\n-0.959715 -3.031680 -6.079559\nI Br\n2 1\ndirect\n0.667496 0.002745 0.375638 I\n0.359743 -0.008079 0.699898 I\n0.989746 0.004175 0.056426 Br\n",
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"spacegroup": 1
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{
"id": "jvasp-117087",
"created_at": "2022-09-04T14:38:48.506680Z",
"updated_at": "2022-09-04T14:38:48.506706Z",
"structure_string": "Li4 Fe6 Co2 O16\n1.0\n5.571043 0.000000 0.000000\n-2.785522 4.824664 0.000000\n-0.000000 -0.000000 9.204304\nLi Fe Co O\n4 6 2 16\ndirect\n0.333333 0.666666 0.893238 Li\n0.000000 0.000000 0.996024 Li\n0.000000 0.000000 0.496024 Li\n0.666666 0.333333 0.393238 Li\n0.825930 0.651859 0.712189 Fe\n0.348140 0.174070 0.712189 Fe\n0.825930 0.174070 0.712189 Fe\n0.174070 0.348140 0.212189 Fe\n0.174070 0.825929 0.212189 Fe\n0.651860 0.825929 0.212189 Fe\n0.333333 0.666666 0.487432 Co\n0.666666 0.333333 0.987432 Co\n0.332229 0.166115 0.102764 O\n0.833885 0.667770 0.102764 O\n0.666666 0.333333 0.597236 O\n0.519721 0.039444 0.842747 O\n0.519721 0.480278 0.842747 O\n0.667770 0.833885 0.602763 O\n0.480278 0.519721 0.342747 O\n0.039444 0.519721 0.342747 O\n0.166115 0.332229 0.602763 O\n0.000000 0.000000 0.806607 O\n0.000000 0.000000 0.306607 O\n0.333333 0.666666 0.097236 O\n0.960556 0.480278 0.842747 O\n0.166115 0.833885 0.602763 O\n0.480278 0.960555 0.342747 O\n0.833885 0.166115 0.102764 O\n",
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{
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"created_at": "2022-09-04T14:38:48.507787Z",
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"structure_string": "Sm4 W4 O20\n1.0\n12.675884 -0.000000 0.000000\n-0.000000 4.780035 2.394047\n-0.000000 -0.011018 7.112524\nSm W O\n4 4 20\ndirect\n0.552491 0.642230 0.207051 Sm\n0.447508 0.357769 0.792949 Sm\n0.052491 0.357769 0.292949 Sm\n0.947508 0.642229 0.707051 Sm\n0.860825 0.865612 0.139166 W\n0.139175 0.134386 0.860834 W\n0.360825 0.134387 0.360834 W\n0.639175 0.865612 0.639166 W\n0.590687 0.620924 0.542105 O\n0.721278 0.844483 0.167417 O\n0.278722 0.155515 0.832583 O\n0.885855 0.188487 0.906480 O\n0.778722 0.844483 0.667417 O\n0.114144 0.811512 0.093520 O\n0.409313 0.379075 0.457895 O\n0.221278 0.155516 0.332584 O\n0.090687 0.379075 0.957895 O\n0.564454 -0.009552 0.821947 O\n0.064455 0.009551 0.678053 O\n0.935545 -0.009551 0.321947 O\n0.614144 0.188487 0.406481 O\n0.435545 0.009551 0.178053 O\n0.597759 0.544855 0.919727 O\n0.402240 0.455144 0.080273 O\n0.097759 0.455143 0.580273 O\n0.902240 0.544855 0.419727 O\n0.909313 0.620924 0.042105 O\n0.385856 0.811512 0.593520 O\n",
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{
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"created_at": "2022-09-04T14:38:48.509128Z",
"updated_at": "2022-09-04T14:38:48.509148Z",
"structure_string": "Lu1 Sc1 B2 O6\n1.0\n4.413288 -0.012555 3.951449\n1.758246 4.047943 3.951449\n-0.019201 -0.012555 5.923740\nLu Sc B O\n1 1 2 6\ndirect\n0.500001 0.499998 0.500000 Lu\n0.000000 0.000000 0.000000 Sc\n0.253066 0.253065 0.253065 B\n0.746937 0.746932 0.746935 B\n0.543142 0.972145 0.241070 O\n0.241071 0.543138 0.972147 O\n0.972149 0.241068 0.543141 O\n0.758931 0.456858 0.027853 O\n0.027854 0.758929 0.456860 O\n0.456861 0.027851 0.758930 O\n",
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