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{
"id": "jvasp-21540",
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"structure_string": "K8 Sb8 F32\n1.0\n4.489703 0.000000 0.000000\n0.000000 11.692525 0.000000\n0.000000 0.000000 16.195802\nK Sb F\n8 8 32\ndirect\n0.618723 0.000000 0.618488 K\n0.618723 0.000000 0.381511 K\n0.381276 0.500000 0.881511 K\n0.381276 0.500000 0.118488 K\n0.000000 0.250000 0.750000 K\n0.000000 0.750000 0.250000 K\n0.000000 0.750000 0.750000 K\n0.000000 0.250000 0.250000 K\n0.067480 0.752268 0.500000 Sb\n0.932520 0.747732 0.000000 Sb\n0.932520 0.252268 0.000000 Sb\n0.067480 0.247732 0.500000 Sb\n0.571019 0.500000 0.654217 Sb\n0.428980 0.000000 0.154217 Sb\n0.428980 0.000000 0.845783 Sb\n0.571019 0.500000 0.345783 Sb\n0.484070 0.620196 0.742047 F\n0.515930 0.879803 0.242047 F\n0.515930 0.120196 0.757953 F\n0.515930 0.120196 0.242047 F\n0.515930 0.879803 0.757953 F\n0.484070 0.620196 0.257953 F\n0.125156 0.132861 0.405327 F\n0.125156 0.867139 0.594672 F\n0.874844 0.632860 0.094673 F\n0.874844 0.367139 0.905327 F\n0.874844 0.367139 0.094673 F\n0.874844 0.632860 0.905327 F\n0.484070 0.379803 0.257953 F\n0.484070 0.379803 0.742047 F\n0.819876 0.350736 0.404189 F\n0.961987 0.500000 0.288412 F\n0.180123 0.850736 0.095811 F\n0.180123 0.149264 0.904189 F\n0.180123 0.149264 0.095811 F\n0.180123 0.850736 0.904189 F\n0.819876 0.649263 0.404189 F\n0.819876 0.350736 0.595811 F\n0.125156 0.867139 0.405327 F\n0.961987 0.500000 0.711588 F\n0.038013 0.000000 0.211588 F\n0.038013 0.000000 0.788412 F\n0.669033 0.170245 0.500000 F\n0.669033 0.829755 0.500000 F\n0.330966 0.670245 0.000000 F\n0.330966 0.329755 0.000000 F\n0.819876 0.649263 0.595811 F\n0.125156 0.132861 0.594672 F\n",
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{
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"structure_string": "Rb4 Cr4 F20\n1.0\n5.540606 -0.000000 0.000000\n0.000000 7.796612 0.000000\n-0.000000 -0.000000 9.658230\nRb Cr F\n4 4 20\ndirect\n0.500000 0.877476 0.970335 Rb\n0.500000 0.122523 0.470335 Rb\n-0.000000 0.351395 0.153157 Rb\n-0.000000 0.648605 0.653157 Rb\n-0.000000 0.862698 0.229530 Cr\n0.500000 0.577519 0.344853 Cr\n0.500000 0.422481 0.844853 Cr\n-0.000000 0.137302 0.729530 Cr\n0.735378 0.471317 0.439945 F\n0.252798 0.685446 0.228456 F\n-0.000000 0.850455 0.414171 F\n0.264623 0.471317 0.439945 F\n0.252798 0.314554 0.728456 F\n-0.000000 0.149545 0.914171 F\n0.500000 0.403849 0.219530 F\n-0.000000 0.165260 0.544150 F\n0.766929 0.024790 0.222958 F\n0.766929 0.975209 0.722958 F\n0.233072 0.975209 0.722958 F\n0.500000 0.596151 0.719530 F\n0.500000 0.763640 0.453064 F\n0.500000 0.236360 0.953064 F\n0.747203 0.314554 0.728456 F\n0.233072 0.024790 0.222958 F\n0.747203 0.685446 0.228456 F\n0.264623 0.528683 0.939945 F\n-0.000000 0.834740 0.044150 F\n0.735378 0.528683 0.939945 F\n",
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{
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"structure_string": "K1 Cu2 Ge1 S4\n1.0\n5.355534 -0.163760 -2.858160\n-1.999589 4.970935 -2.858160\n0.114323 0.163760 6.069410\nK Cu Ge S\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 K\n0.749999 0.250000 0.500000 Cu\n0.250000 0.750001 0.500000 Cu\n0.000000 0.000000 0.000000 Ge\n0.363887 0.960843 0.000000 S\n0.960841 0.363888 -0.000000 S\n0.636112 0.636113 0.596954 S\n0.039158 0.039158 0.403045 S\n",
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{
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{
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"structure_string": "Na2 Ti4 O8\n1.0\n-0.000049 4.344255 4.344198\n4.344158 0.000000 4.344150\n4.344167 4.344216 -0.000009\nNa Ti O\n2 4 8\ndirect\n0.125002 0.125000 0.125001 Na\n0.875000 0.875000 0.875000 Na\n0.500001 0.499999 0.000001 Ti\n0.500000 -0.000000 0.500000 Ti\n-0.000000 0.500001 0.500001 Ti\n0.500000 0.500000 0.500000 Ti\n0.695108 0.268296 0.268296 O\n0.268297 0.268297 0.268296 O\n0.268296 0.695107 0.268297 O\n0.268295 0.268296 0.695107 O\n0.731705 0.304892 0.731705 O\n0.731705 0.731703 0.304894 O\n0.304894 0.731703 0.731706 O\n0.731704 0.731704 0.731706 O\n",
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{
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"created_at": "2022-09-04T14:38:10.544766Z",
"updated_at": "2022-09-04T14:38:10.544790Z",
"structure_string": "Mn2 C2 O6\n1.0\n4.360545 -0.020148 3.916403\n1.734284 4.000878 3.916403\n-0.030848 -0.020148 5.861025\nMn C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n0.750000 0.750000 0.749999 C\n0.250000 0.250000 0.250000 C\n0.479930 0.020070 0.749999 O\n0.750000 0.479929 0.020070 O\n0.979930 0.249999 0.520069 O\n0.520070 0.979930 0.249999 O\n0.249999 0.520070 0.979929 O\n0.020070 0.750000 0.479929 O\n",
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},
{
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"created_at": "2022-09-04T14:37:04.798343Z",
"updated_at": "2022-09-04T14:37:04.798378Z",
"structure_string": "Ca8 Sb4 S2\n1.0\n7.980778 0.128602 0.000000\n-2.539012 7.567217 0.000000\n-2.720883 -3.847910 6.442029\nCa Sb S\n8 4 2\ndirect\n-0.000351 0.869410 0.511450 Ca\n0.511802 0.000352 0.369762 Ca\n0.130590 0.142040 0.130239 Ca\n0.369410 0.499648 0.011450 Ca\n0.642041 0.630590 0.630239 Ca\n0.500352 0.011801 0.869762 Ca\n0.857961 0.488199 0.988550 Ca\n0.988199 0.357960 0.488550 Ca\n0.123454 0.750000 0.873454 Sb\n0.250000 0.623454 0.373453 Sb\n0.376547 0.250000 0.626547 Sb\n0.750000 0.876547 0.126547 Sb\n0.625000 0.375000 0.250000 S\n0.875001 0.125000 0.750000 S\n",
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{
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"structure_string": "Ba2 Si8 O18\n1.0\n3.282380 -5.685249 -0.000000\n3.282380 5.685249 0.000000\n0.000000 0.000000 9.464062\nBa Si O\n2 8 18\ndirect\n0.333333 0.666667 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.000000 Si\n0.787517 0.699125 0.750000 Si\n0.300875 0.088391 0.750000 Si\n0.666667 0.333333 0.500000 Si\n0.787517 0.088391 0.250000 Si\n0.911609 0.699125 0.250000 Si\n0.300875 0.212483 0.250000 Si\n0.911609 0.212483 0.750000 Si\n0.894295 0.337965 0.606887 O\n0.734885 0.811721 0.250000 O\n0.076836 0.265115 0.250000 O\n0.188279 0.923164 0.250000 O\n0.076836 0.811721 0.750000 O\n0.734885 0.923164 0.750000 O\n0.188279 0.265115 0.750000 O\n0.894295 0.337965 0.893112 O\n0.894295 0.556330 0.393112 O\n0.662035 0.105705 0.106887 O\n0.894295 0.556330 0.106887 O\n0.443670 0.337965 0.106887 O\n0.662035 0.556330 0.893112 O\n0.443670 0.337965 0.393112 O\n0.662035 0.556330 0.606887 O\n0.662035 0.105705 0.393112 O\n0.443670 0.105705 0.893112 O\n0.443670 0.105705 0.606887 O\n",
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{
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"structure_string": "Be1 Sn1 Cl2\n1.0\n-2.327284 2.327284 4.113011\n2.327284 -2.327284 4.113011\n2.327284 2.327284 -4.113011\nBe Sn Cl\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Sn\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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{
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"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
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{
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"structure_string": "Cr2 S2 Br1 Cl1\n1.0\n3.495095 0.000000 0.000000\n0.000000 4.747057 0.000000\n0.000000 0.000000 7.663504\nCr S Br Cl\n2 2 1 1\ndirect\n0.000000 0.500000 0.129943 Cr\n0.500001 0.000000 0.862168 Cr\n0.500001 0.500000 0.918304 S\n0.000000 0.000000 0.074748 S\n0.500001 0.500000 0.363759 Br\n0.000000 0.000000 0.651078 Cl\n",
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{
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"structure_string": "Rb1 Pb1 Cl3\n1.0\n5.635461 0.000000 -0.000000\n-0.000000 5.635461 -0.000000\n0.000000 0.000000 5.635461\nRb Pb Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
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}
]
}