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"id": "jvasp-118981",
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{
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"structure_string": "Li4 Co2 O6\n1.0\n2.822802 -0.000000 0.000000\n-1.411401 2.444618 0.000000\n-0.000000 -0.000000 14.642146\nLi Co O\n4 2 6\ndirect\n0.333333 0.666667 0.337345 Li\n0.666666 0.333334 0.662655 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.840326 Co\n0.666666 0.333334 0.159674 Co\n0.333333 0.666667 0.590546 O\n0.666666 0.333334 0.911461 O\n0.000000 0.000000 0.226019 O\n0.333333 0.666667 0.088539 O\n0.666666 0.333334 0.409454 O\n0.000000 0.000000 0.773982 O\n",
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"formula_full": "Li4 Co2 O6",
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"spacegroup": 164
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{
"id": "jvasp-119000",
"created_at": "2022-09-04T14:38:50.992322Z",
"updated_at": "2022-09-04T14:38:50.992347Z",
"structure_string": "Mn4 O6 F2\n1.0\n5.038263 0.029502 -1.780128\n-2.251881 4.340615 -2.154510\n-0.006452 -0.029502 5.343492\nMn O F\n4 6 2\ndirect\n0.469336 0.719336 0.750000 Mn\n0.530664 0.280665 0.250000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500001 0.000000 Mn\n0.189100 0.439100 0.750000 O\n0.693161 -0.000000 0.193161 O\n0.693161 0.500001 0.693161 O\n0.306839 0.500001 0.306839 O\n0.306839 0.000000 0.806839 O\n0.810901 0.560901 0.250000 O\n0.217867 0.967867 0.250000 F\n0.782134 0.032134 0.749999 F\n",
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{
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"created_at": "2022-09-04T14:38:53.160510Z",
"updated_at": "2022-09-04T14:38:53.160542Z",
"structure_string": "Sc2 O3 F1\n1.0\n3.229463 0.000000 0.000000\n0.000000 3.392239 3.482507\n0.000000 -3.392239 3.482507\nSc O F\n2 3 1\ndirect\n0.000000 0.013559 0.013559 Sc\n0.499999 0.491719 0.491719 Sc\n0.499999 0.195315 0.195315 O\n0.000000 0.300423 0.696089 O\n0.000000 0.696089 0.300423 O\n0.499999 0.802897 0.802897 F\n",
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{
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"created_at": "2022-09-04T14:38:52.916866Z",
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"structure_string": "Ni6 Mo4 P2\n1.0\n4.769635 -0.000000 -0.000000\n-2.384818 4.130624 0.000000\n-0.000000 -0.000000 7.402038\nNi Mo P\n6 4 2\ndirect\n0.831640 0.168361 0.250000 Ni\n0.831639 0.663276 0.250000 Ni\n0.336723 0.168361 0.250000 Ni\n0.168361 0.831638 0.750000 Ni\n0.168361 0.336723 0.750000 Ni\n0.663277 0.831638 0.750000 Ni\n0.333333 0.666666 0.435351 Mo\n0.666667 0.333333 0.564649 Mo\n0.666667 0.333333 0.935351 Mo\n0.333333 0.666666 0.064649 Mo\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:38:52.919036Z",
"updated_at": "2022-09-04T14:38:52.919061Z",
"structure_string": "H3 Pb2 I1\n1.0\n4.229000 0.000000 -0.000000\n-2.114500 3.662421 0.000000\n-0.000000 0.000000 7.578396\nH Pb I\n3 2 1\ndirect\n0.000000 0.000000 0.500000 H\n0.666666 0.333333 0.622189 H\n0.333333 0.666666 0.377812 H\n0.666666 0.333333 0.327966 Pb\n0.333333 0.666666 0.672035 Pb\n0.000000 0.000000 0.000000 I\n",
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{
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"structure_string": "Pu1 B2 Os3\n1.0\n-0.000164 -0.000095 2.933162\n5.591050 -0.000031 0.000456\n-2.795552 4.842038 0.000000\nPu B Os\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pu\n-0.000003 0.333339 0.666670 B\n0.000005 0.666662 0.333331 B\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 -0.000000 Os\n",
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{
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"created_at": "2022-09-04T14:36:16.654830Z",
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"structure_string": "Li4 Cr2 S6\n1.0\n3.037501 5.268770 -0.005084\n-3.037501 5.268770 0.005084\n-2.045985 0.000000 5.870658\nLi Cr S\n4 2 6\ndirect\n0.842641 0.842642 0.500000 Li\n0.157358 0.157359 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.331858 0.331858 -0.000000 Cr\n0.668142 0.668142 0.000000 Cr\n0.280637 0.719363 0.769782 S\n0.436965 0.922623 0.229809 S\n0.077377 0.563035 0.229809 S\n0.563035 0.077378 0.770191 S\n0.922622 0.436965 0.770191 S\n0.719363 0.280637 0.230218 S\n",
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{
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