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{
"id": "jvasp-29388",
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"structure_string": "Mn2 Sb2 S4 Br2\n1.0\n3.639706 -0.000000 -0.000000\n-1.819853 6.261624 -0.161851\n-0.000000 -0.095943 8.856506\nMn Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.707434 0.414867 0.789683 Sb\n0.292567 0.585132 0.210318 Sb\n0.620922 0.241844 0.045274 S\n0.057620 0.115240 0.750324 S\n0.379080 0.758156 0.954727 S\n0.942382 0.884760 0.249676 S\n0.371924 0.743846 0.550691 Br\n0.628078 0.256154 0.449309 Br\n",
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{
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"structure_string": "Rb2 S1 Cl6 F1\n1.0\n-0.000000 4.927394 4.927394\n4.927394 0.000000 4.927394\n4.927394 4.927394 -0.000000\nRb S Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.749999 0.749999 Rb\n0.000000 0.000000 0.000000 S\n0.234863 0.765136 0.765136 Cl\n0.234863 0.765136 0.234863 Cl\n0.765136 0.234863 0.765136 Cl\n0.765136 0.765136 0.234863 Cl\n0.234863 0.234863 0.765136 Cl\n0.765136 0.234863 0.234863 Cl\n0.500000 0.500000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:37:57.490873Z",
"updated_at": "2022-09-04T14:37:57.490897Z",
"structure_string": "Ba4 Pr2 Ru2 O12\n1.0\n0.000000 6.105699 0.020347\n6.044988 0.000000 0.000000\n0.000000 -6.123193 -8.577819\nBa Pr Ru O\n4 2 2 12\ndirect\n0.749262 0.499967 0.251644 Ba\n0.250738 -0.000033 0.248356 Ba\n0.250738 0.500033 0.748356 Ba\n0.749263 0.000033 0.751644 Ba\n0.500000 0.500000 0.500000 Pr\n0.500000 0.000000 -0.000000 Pr\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.180144 0.500028 0.227763 O\n0.819856 0.000028 0.272237 O\n0.251964 0.729904 0.025065 O\n0.748036 0.229904 0.474934 O\n0.748036 0.270096 0.974934 O\n0.748114 0.729988 0.974930 O\n0.251886 0.270012 0.025070 O\n0.748114 0.770012 0.474930 O\n0.180144 -0.000028 0.727763 O\n0.251886 0.229988 0.525070 O\n0.251965 0.770096 0.525065 O\n0.819856 0.499973 0.772237 O\n",
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{
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"created_at": "2022-09-04T14:37:56.842656Z",
"updated_at": "2022-09-04T14:37:56.842680Z",
"structure_string": "Nd2 Cu2 Te2 O2\n1.0\n4.124403 0.000000 -0.000000\n0.000000 4.124403 0.000000\n0.000000 0.000000 9.422037\nNd Cu Te O\n2 2 2 2\ndirect\n0.500000 0.000000 0.376883 Nd\n0.000000 0.500000 0.623118 Nd\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.181752 Te\n0.500000 0.000000 0.818248 Te\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "jvasp-48234",
"created_at": "2022-09-04T14:37:40.707352Z",
"updated_at": "2022-09-04T14:37:40.707378Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.737054 0.000000 0.000000\n0.000000 5.707988 0.000000\n0.000000 0.000000 10.074709\nLi Cr Si O\n4 4 4 16\ndirect\n-0.000012 0.256415 0.500080 Li\n0.500011 0.256415 0.000080 Li\n0.499988 0.756415 0.999920 Li\n0.000012 0.756415 0.499920 Li\n0.001876 0.006551 0.231961 Cr\n0.498123 0.006551 0.731961 Cr\n0.501876 0.506551 0.268039 Cr\n-0.001876 0.506551 0.768039 Cr\n0.941225 0.006549 0.907926 Si\n0.558774 0.006549 0.407926 Si\n0.441225 0.506549 0.592074 Si\n0.058774 0.506549 0.092074 Si\n0.777582 0.226776 0.828002 O\n0.782657 0.506536 0.598883 O\n0.717341 0.506536 0.098883 O\n0.722416 0.226776 0.328002 O\n0.722433 0.786312 0.328011 O\n0.690134 0.006554 0.558081 O\n0.309865 0.506554 0.441919 O\n0.222433 0.286312 0.171989 O\n0.277583 0.726776 0.671998 O\n0.282658 0.006536 0.901117 O\n0.217342 0.006536 0.401117 O\n0.222417 0.726776 0.171998 O\n0.777566 0.786312 0.828011 O\n0.190135 0.506554 0.941920 O\n0.277566 0.286312 0.671989 O\n0.809865 0.006554 0.058081 O\n",
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{
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"created_at": "2022-09-04T14:37:57.499568Z",
"updated_at": "2022-09-04T14:37:57.499590Z",
"structure_string": "K8 Na12 Tl4 O16\n1.0\n7.750484 0.000000 0.000000\n0.000000 9.265324 -0.000000\n0.000000 -0.000000 9.583554\nK Na Tl O\n8 12 4 16\ndirect\n0.246509 0.500000 0.000000 K\n0.253490 0.000000 0.500000 K\n0.753490 0.500000 0.000000 K\n0.746509 0.000000 0.500000 K\n0.500000 0.261924 0.749751 K\n0.500000 0.738076 0.250249 K\n0.000000 0.761923 0.750249 K\n0.000000 0.238076 0.249751 K\n0.748940 0.516163 0.652130 Na\n0.748940 0.483836 0.347869 Na\n0.751059 0.983836 0.152130 Na\n0.500000 0.258751 0.414555 Na\n0.500000 0.741248 0.585444 Na\n0.751059 0.016164 0.847869 Na\n0.000000 0.241249 0.914555 Na\n0.248940 0.983836 0.152130 Na\n0.248940 0.016164 0.847869 Na\n0.251060 0.483836 0.347869 Na\n0.251060 0.516163 0.652130 Na\n0.000000 0.758751 0.085444 Na\n0.500000 0.772986 0.880930 Tl\n0.500000 0.227014 0.119070 Tl\n0.000000 0.727014 0.380930 Tl\n0.000000 0.272986 0.619070 Tl\n0.747113 0.198400 0.014865 O\n0.500000 0.441872 0.221618 O\n0.752886 0.301600 0.514864 O\n0.000000 0.058128 0.721618 O\n0.752886 0.698400 0.485135 O\n0.747113 0.801599 0.985135 O\n0.247114 0.698400 0.485135 O\n0.000000 0.545302 0.221390 O\n0.252886 0.198400 0.014865 O\n0.252886 0.801599 0.985135 O\n0.000000 0.454698 0.778610 O\n0.500000 0.954698 0.721389 O\n0.500000 0.045302 0.278610 O\n0.500000 0.558128 0.778382 O\n0.247114 0.301600 0.514864 O\n0.000000 0.941872 0.278382 O\n",
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"formula_full": "K8 Na12 Tl4 O16",
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{
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"created_at": "2022-09-04T14:37:49.186750Z",
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"structure_string": "K2 Na1 Pr1 Cl6\n1.0\n6.593900 -0.000000 3.806990\n2.197967 6.216788 3.806990\n-0.000000 -0.000000 7.613980\nK Na Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.747041 0.252959 0.252959 Cl\n0.252959 0.252959 0.747041 Cl\n0.252959 0.747041 0.747041 Cl\n0.252959 0.747041 0.252959 Cl\n0.747041 0.252959 0.747041 Cl\n0.747041 0.747041 0.252959 Cl\n",
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{
"id": "jvasp-22056",
"created_at": "2022-09-04T14:37:35.627387Z",
"updated_at": "2022-09-04T14:37:35.627411Z",
"structure_string": "Na2 Ca6 Ir2 O12\n1.0\n6.520357 0.003193 -0.051706\n-0.052142 6.520148 -0.051706\n0.003166 0.003193 6.520561\nNa Ca Ir O\n2 6 2 12\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.606248 0.893752 0.249999 Ca\n0.250001 0.606247 0.893752 Ca\n0.893753 0.249999 0.606247 Ca\n0.393753 0.106247 0.750000 Ca\n0.750001 0.393752 0.106247 Ca\n0.106248 0.750000 0.393752 Ca\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500000 0.499999 Ir\n0.929579 0.707263 0.059110 O\n0.207263 0.429579 0.559111 O\n0.440890 0.792737 0.570420 O\n0.570422 0.440889 0.792736 O\n0.792738 0.570421 0.440888 O\n0.292738 0.940889 0.070420 O\n0.070422 0.292737 0.940889 O\n0.940890 0.070421 0.292736 O\n0.559112 0.207263 0.429578 O\n0.429579 0.559111 0.207262 O\n0.059112 0.929579 0.707262 O\n0.707264 0.059110 0.929578 O\n",
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{
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{
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"structure_string": "Y1 Bi2 Br1 O4\n1.0\n3.909345 -0.000000 -0.000000\n0.000000 3.909345 -0.000000\n-0.000000 0.000000 9.233143\nY Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500001 0.271297 Bi\n0.500001 0.500001 0.728702 Bi\n0.000000 0.000000 0.500000 Br\n0.000000 0.500001 0.149051 O\n0.500001 0.000000 0.850949 O\n0.000000 0.500001 0.850949 O\n0.500001 0.000000 0.149051 O\n",
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{
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"structure_string": "Rb2 Li1 Sb1 F6\n1.0\n5.263763 -0.000000 3.039035\n1.754588 4.962723 3.039035\n-0.000000 -0.000000 6.078070\nRb Li Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Sb\n0.742925 0.257074 0.257074 F\n0.257074 0.257074 0.742925 F\n0.257075 0.742925 0.742925 F\n0.257075 0.742925 0.257074 F\n0.742925 0.257074 0.742925 F\n0.742926 0.742925 0.257073 F\n",
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{
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"created_at": "2022-09-04T14:37:57.090022Z",
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]
}