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{
"id": "jvasp-43012",
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"structure_string": "Li2 Cr2 Fe2 O8\n1.0\n5.671868 -0.000000 -0.000000\n2.835934 5.020256 -0.000451\n2.835934 1.672994 4.733292\nLi Cr Fe O\n2 2 2 8\ndirect\n0.123565 0.126435 0.126435 Li\n0.876434 0.873565 0.873565 Li\n0.500000 -0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n-0.000001 0.500000 0.500000 Fe\n0.499999 0.500000 0.500000 Fe\n0.255730 0.265172 0.265172 O\n0.261096 0.266240 0.711567 O\n0.261096 0.711568 0.266240 O\n0.713925 0.265172 0.265172 O\n0.286074 0.734828 0.734828 O\n0.738903 0.733760 0.288432 O\n0.738903 0.288432 0.733760 O\n0.744269 0.734828 0.734828 O\n",
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"structure_string": "Na2 H2 C2 O4\n1.0\n4.385134 0.001749 -1.400349\n-0.798092 4.311897 -1.400349\n-0.061458 -0.073907 6.076659\nNa H C O\n2 2 2 4\ndirect\n0.863761 0.136239 0.250000 Na\n0.136238 0.863762 0.750000 Na\n0.445514 0.554487 0.250000 H\n0.554486 0.445514 0.750000 H\n0.280368 0.719632 0.250000 C\n0.719631 0.280368 0.750000 C\n0.336706 0.950250 0.187824 O\n0.049751 0.663294 0.312176 O\n0.950248 0.336706 0.687824 O\n0.663293 0.049750 0.812175 O\n",
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{
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"updated_at": "2022-09-04T14:38:09.752008Z",
"structure_string": "Tc2 H8 N2 O8\n1.0\n5.577592 -0.000004 -2.228232\n-0.890169 5.506098 -2.228236\n-0.244490 -0.287187 7.482889\nTc H N O\n2 8 2 8\ndirect\n0.125000 0.375000 0.250000 Tc\n0.875000 0.625000 0.750000 Tc\n0.279558 0.207365 0.650712 H\n0.720442 0.792635 0.349288 H\n0.707365 0.871155 0.150712 H\n0.556652 0.220442 0.849288 H\n0.371154 0.943347 0.650712 H\n0.443347 0.779558 0.150712 H\n0.628845 0.056653 0.349288 H\n0.292635 0.128845 0.849288 H\n0.625000 0.875001 0.250000 N\n0.375000 0.125000 0.750000 N\n0.843150 0.416787 0.090272 O\n0.916786 0.747123 0.590272 O\n0.156850 0.583214 0.909727 O\n0.326514 0.656850 0.409728 O\n0.083214 0.252878 0.409728 O\n0.247122 0.173486 0.090272 O\n0.673486 0.343150 0.590272 O\n0.752877 0.826514 0.909728 O\n",
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{
"id": "jvasp-12293",
"created_at": "2022-09-04T14:38:14.626463Z",
"updated_at": "2022-09-04T14:38:14.626481Z",
"structure_string": "Na2 Ca2 Ta3 O10\n1.0\n3.941722 0.000000 -0.529862\n-0.071227 3.941078 -0.529862\n-0.049402 -0.050302 14.558953\nNa Ca Ta O\n2 2 3 10\ndirect\n0.711667 0.711668 0.423335 Na\n0.288333 0.288333 0.576665 Na\n0.576527 0.576528 0.153055 Ca\n0.423472 0.423473 0.846945 Ca\n0.855847 0.855849 0.711698 Ta\n0.000000 0.000000 0.000000 Ta\n0.144152 0.144152 0.288302 Ta\n0.069076 0.069076 0.138152 O\n0.790621 0.790623 0.581244 O\n0.930923 0.930925 0.861848 O\n0.633716 0.133716 0.267432 O\n0.133716 0.633716 0.267432 O\n0.366283 0.866285 0.732568 O\n0.866284 0.366285 0.732568 O\n0.209378 0.209378 0.418756 O\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:14.634066Z",
"updated_at": "2022-09-04T14:38:14.634093Z",
"structure_string": "Rb1 Ca2 Nb3 O10\n1.0\n3.956432 -0.000000 0.000000\n-0.000000 3.956432 -0.000000\n-0.000000 0.000000 15.162358\nRb Ca Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.849829 Ca\n0.500000 0.500000 0.150171 Ca\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.282734 Nb\n0.000000 0.000000 0.717266 Nb\n0.000000 0.000000 0.598143 O\n0.000000 0.000000 0.401858 O\n0.500000 0.000000 0.746338 O\n0.000000 0.500000 0.746338 O\n0.500000 0.000000 0.253662 O\n0.000000 0.500000 0.253662 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.130420 O\n0.000000 0.000000 0.869580 O\n",
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"formula_full": "Rb1 Ca2 Nb3 O10",
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{
"id": "jvasp-109422",
"created_at": "2022-09-04T14:38:27.522516Z",
"updated_at": "2022-09-04T14:38:27.522536Z",
"structure_string": "Co1 Te1 Pb2 O6\n1.0\n4.892260 0.000000 2.824548\n1.630753 4.612467 2.824548\n-0.000000 -0.000000 5.649095\nCo Te Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500001 Te\n0.749999 0.750000 0.750001 Pb\n0.250000 0.250000 0.250000 Pb\n0.755078 0.244922 0.755079 O\n0.244921 0.755079 0.244922 O\n0.244921 0.755079 0.755079 O\n0.244921 0.244922 0.755079 O\n0.755078 0.244922 0.244922 O\n0.755078 0.755079 0.244923 O\n",
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"density_atomic": 0.07844735770578173,
"volume": 127.47401942465909,
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"formula_full": "Co1 Te1 Pb2 O6",
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{
"id": "jvasp-109448",
"created_at": "2022-09-04T14:38:27.508485Z",
"updated_at": "2022-09-04T14:38:27.508497Z",
"structure_string": "K2 Tl1 Cu1 Cl6\n1.0\n6.252195 -0.000000 3.609706\n2.084065 5.894626 3.609706\n-0.000000 -0.000000 7.219413\nK Tl Cu Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500001 Cu\n0.737128 0.262871 0.262872 Cl\n0.262870 0.262871 0.737129 Cl\n0.262870 0.737130 0.737130 Cl\n0.262870 0.737130 0.262872 Cl\n0.737128 0.262871 0.737130 Cl\n0.737128 0.737130 0.262872 Cl\n",
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{
"id": "jvasp-117385",
"created_at": "2022-09-04T14:38:26.422607Z",
"updated_at": "2022-09-04T14:38:26.422637Z",
"structure_string": "Fe1 Co1 Rh4 S8\n1.0\n5.921205 -0.000000 3.418610\n-3.947470 5.582566 0.000000\n-0.000000 -0.000000 6.837219\nFe Co Rh S\n1 1 4 8\ndirect\n0.500001 0.750001 0.750000 Fe\n0.000000 0.000000 0.000000 Co\n0.751428 0.375713 0.872859 Rh\n0.248573 0.375713 0.375713 Rh\n0.248573 0.872860 0.375713 Rh\n0.751428 0.375713 0.375713 Rh\n0.255879 0.127940 0.616182 S\n0.744122 0.127940 0.127939 S\n0.744122 0.616182 0.127939 S\n0.255879 0.127940 0.127939 S\n0.247781 0.623890 0.128330 S\n0.752221 0.623890 0.623890 S\n0.752221 0.128330 0.623890 S\n0.247781 0.623890 0.623890 S\n",
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{
"id": "jvasp-11729",
"created_at": "2022-09-04T14:38:09.754028Z",
"updated_at": "2022-09-04T14:38:09.754048Z",
"structure_string": "Li4 Fe2 Si2 O8\n1.0\n4.965074 0.000000 0.000000\n0.000000 5.326696 0.000000\n0.000000 0.000000 6.267331\nLi Fe Si O\n4 2 2 8\ndirect\n0.057009 0.667303 0.250371 Li\n0.557009 0.332697 0.249629 Li\n0.557009 0.332697 0.750371 Li\n0.057009 0.667303 0.749629 Li\n0.059266 0.174921 0.500000 Fe\n0.559266 0.825080 0.000000 Fe\n0.050574 0.168838 0.000000 Si\n0.550573 0.831163 0.500000 Si\n0.717616 0.174931 0.000000 O\n0.161042 0.315671 0.216028 O\n0.217616 0.825070 0.500000 O\n0.651441 0.128155 0.500000 O\n0.661041 0.684330 0.716027 O\n0.661041 0.684330 0.283972 O\n0.161042 0.315671 0.783972 O\n0.151442 0.871846 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:15.990276Z",
"updated_at": "2022-09-04T14:38:15.990305Z",
"structure_string": "Ca2 Zn2 Si4 O12\n1.0\n5.188176 -0.008054 1.054569\n1.237006 6.544896 0.614301\n-0.007874 0.027170 6.688977\nCa Zn Si O\n2 2 4 12\ndirect\n0.250001 0.699909 0.300092 Ca\n0.750001 0.300093 0.699908 Ca\n0.250001 0.094268 0.905732 Zn\n0.750001 0.905733 0.094268 Zn\n0.770681 0.379988 0.193308 Si\n0.729321 0.806693 0.620013 Si\n0.229321 0.620013 0.806692 Si\n0.270681 0.193308 0.379987 Si\n0.355520 0.026532 0.206815 O\n0.144481 0.793186 0.973468 O\n0.509226 0.329224 0.371692 O\n0.673498 0.610534 0.111169 O\n0.826504 0.888832 0.389467 O\n0.326504 0.389467 0.888831 O\n0.173498 0.111169 0.610533 O\n0.009226 0.371692 0.329224 O\n0.490776 0.670777 0.628308 O\n0.990776 0.628309 0.670777 O\n0.855521 0.206815 0.026532 O\n0.644482 0.973469 0.793185 O\n",
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{
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"structure_string": "Na4 V4 Zn2 O14\n1.0\n8.330574 0.000000 -0.000000\n-0.000000 8.330574 -0.000000\n0.000000 -0.000000 5.072141\nNa V Zn O\n4 4 2 14\ndirect\n0.162859 0.337141 0.491137 Na\n0.337141 0.837141 0.508863 Na\n0.662859 0.162859 0.508863 Na\n0.837141 0.662859 0.491137 Na\n0.145148 0.645148 0.920544 V\n0.645148 0.854851 0.079455 V\n0.354852 0.145148 0.079455 V\n0.854851 0.354852 0.920544 V\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.353120 0.146880 0.750181 O\n0.904425 0.170320 0.789135 O\n0.670320 0.404425 0.789135 O\n0.595575 0.670320 0.210865 O\n0.500000 0.000000 0.204995 O\n0.853120 0.353120 0.249819 O\n0.000000 0.500000 0.795005 O\n0.146880 0.646879 0.249819 O\n0.404425 0.329680 0.210865 O\n0.829680 0.904425 0.210865 O\n0.329680 0.595575 0.789135 O\n0.646879 0.853120 0.750181 O\n0.170320 0.095575 0.210865 O\n0.095575 0.829680 0.789135 O\n",
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{
"id": "jvasp-117292",
"created_at": "2022-09-04T14:38:26.249545Z",
"updated_at": "2022-09-04T14:38:26.249568Z",
"structure_string": "Li6 Co6 Ni2 O16\n1.0\n5.609169 0.000124 -0.000218\n2.804581 4.857809 0.000291\n0.000405 -0.000640 9.072579\nLi Co Ni O\n6 6 2 16\ndirect\n0.168939 0.169030 0.447377 Li\n0.168967 0.661983 0.447372 Li\n0.661803 0.169103 0.447364 Li\n0.338165 0.830924 0.947364 Li\n0.831028 0.337978 0.947376 Li\n0.830992 0.830968 0.947374 Li\n0.831471 0.831526 0.214268 Co\n0.336958 0.831528 0.214266 Co\n0.831471 0.337016 0.214269 Co\n0.168489 0.663027 0.714267 Co\n0.168489 0.168518 0.714269 Co\n0.663004 0.168515 0.714265 Co\n0.333319 0.333353 0.991852 Ni\n0.666639 0.666692 0.491854 Ni\n0.314782 0.842628 0.594140 O\n0.842580 0.314831 0.594137 O\n0.516741 0.966456 0.340640 O\n0.666641 0.666692 0.103118 O\n0.516743 0.516810 0.340631 O\n0.685179 0.157420 0.094140 O\n0.483222 0.483229 0.840631 O\n-0.000043 0.000025 0.320607 O\n0.333319 0.333359 0.603118 O\n0.000003 0.000011 0.820607 O\n0.157381 0.685214 0.094136 O\n0.033556 0.483236 0.840635 O\n0.157380 0.157422 0.094139 O\n0.966405 0.516800 0.340634 O\n0.483216 0.033589 0.840642 O\n0.842580 0.842625 0.594139 O\n",
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}
]
}