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{
"id": "mp-972891",
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"structure_string": "Sc2 Be26\n1.0\n0.000000 5.014700 5.014700\n5.014700 0.000000 5.014700\n5.014700 5.014700 0.000000\nSc Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.792496 0.562708 0.437292 Be\n0.562708 0.792496 0.207504 Be\n0.207504 0.437292 0.562708 Be\n0.437292 0.207504 0.792496 Be\n0.437292 0.792496 0.562708 Be\n0.562708 0.437292 0.792496 Be\n0.792496 0.437292 0.207504 Be\n0.792496 0.207504 0.562708 Be\n0.207504 0.562708 0.792496 Be\n0.437292 0.562708 0.207504 Be\n0.562708 0.207504 0.437292 Be\n0.207504 0.792496 0.437292 Be\n0.937292 0.707504 0.062708 Be\n0.707504 0.937292 0.292496 Be\n0.062708 0.292496 0.937292 Be\n0.292496 0.062708 0.707504 Be\n0.707504 0.062708 0.937292 Be\n0.062708 0.937292 0.707504 Be\n0.062708 0.707504 0.292496 Be\n0.292496 0.707504 0.937292 Be\n0.937292 0.292496 0.707504 Be\n0.937292 0.062708 0.292496 Be\n0.292496 0.937292 0.062708 Be\n0.707504 0.292496 0.062708 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n",
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{
"id": "mp-1033978",
"created_at": "2022-09-04T14:40:17.333031Z",
"structure_string": "K1 Rb1 Mg14 O15\n1.0\n8.602220 0.000000 0.000000\n0.000000 8.941342 0.000000\n0.000000 0.000000 4.483661\nK Rb Mg O\n1 1 14 15\ndirect\n0.982403 0.000000 0.000000 K\n0.110464 0.500000 0.000000 Rb\n0.496056 0.000000 0.000000 Mg\n0.518809 0.500000 0.000000 Mg\n0.995843 0.249075 0.500000 Mg\n0.995843 0.750925 0.500000 Mg\n0.495903 0.254589 0.500000 Mg\n0.495903 0.745411 0.500000 Mg\n0.246666 0.000000 0.500000 Mg\n0.253416 0.500000 0.500000 Mg\n0.740189 0.000000 0.500000 Mg\n0.769213 0.500000 0.500000 Mg\n0.240658 0.215922 -0.000000 Mg\n0.240658 0.784078 0.000000 Mg\n0.758529 0.261376 0.000000 Mg\n0.758529 0.738624 0.000000 Mg\n0.271166 0.000000 0.000000 O\n0.714438 0.000000 0.000000 O\n0.741747 0.500000 0.000000 O\n0.246383 0.260400 0.500000 O\n0.246383 0.739600 0.500000 O\n0.744032 0.252527 0.500000 O\n0.744032 0.747473 0.500000 O\n0.011364 0.000000 0.500000 O\n0.004437 0.500000 0.500000 O\n0.490024 0.000000 0.500000 O\n0.484182 0.500000 0.500000 O\n0.999216 0.258997 0.000000 O\n0.999216 0.741003 -0.000000 O\n0.477149 0.270251 0.000000 O\n0.477149 0.729749 0.000000 O\n",
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"formula_full": "K1 Rb1 Mg14 O15",
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"spacegroup": 25
},
{
"id": "mp-1211894",
"created_at": "2022-09-04T14:40:17.333538Z",
"structure_string": "K8 Sn4 H4 Cl16\n1.0\n0.000000 0.000000 -8.162355\n0.000000 -8.911606 0.000000\n-12.679299 0.000000 0.000000\nK Sn H Cl\n8 4 4 16\ndirect\n0.376930 0.750000 0.699359 K\n0.623070 0.250000 0.300641 K\n0.876930 0.250000 0.800641 K\n0.123070 0.750000 0.199359 K\n0.889906 0.750000 0.815466 K\n0.110094 0.250000 0.184534 K\n0.389906 0.250000 0.684534 K\n0.610094 0.750000 0.315466 K\n0.500000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.272677 0.750000 0.959596 Cl\n0.727323 0.250000 0.040404 Cl\n0.772677 0.250000 0.540404 Cl\n0.227323 0.750000 0.459596 Cl\n0.782126 0.750000 0.547712 Cl\n0.217874 0.250000 0.452288 Cl\n0.282126 0.250000 0.952288 Cl\n0.717874 0.750000 0.047712 Cl\n0.610902 0.996057 0.789093 Cl\n0.389098 0.003943 0.210907 Cl\n0.110902 0.003943 0.710907 Cl\n0.389098 0.496057 0.210907 Cl\n0.889098 0.996057 0.289093 Cl\n0.610902 0.503943 0.789093 Cl\n0.889098 0.503943 0.289093 Cl\n0.110902 0.496057 0.710907 Cl\n",
"nsites": 32,
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"density": 2.446650101814626,
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"formula_full": "K8 Sn4 H4 Cl16",
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{
"id": "mp-542081",
"created_at": "2022-09-04T14:40:17.338331Z",
"structure_string": "K8 La4 P8 S28\n1.0\n6.930518 0.000000 0.000000\n0.000000 9.277863 0.000000\n0.000000 6.902329 20.205774\nK La P S\n8 4 8 28\ndirect\n0.530143 0.340260 0.310322 K\n0.030143 0.659740 0.189678 K\n0.469857 0.659740 0.689678 K\n0.969857 0.340260 0.810322 K\n0.012499 0.248300 0.489744 K\n0.512499 0.751700 0.010256 K\n0.987501 0.751700 0.510256 K\n0.487501 0.248300 0.989744 K\n0.473425 0.839394 0.349532 La\n0.973425 0.160606 0.150468 La\n0.526575 0.160606 0.650468 La\n0.026575 0.839394 0.849532 La\n0.016940 0.072275 0.330780 P\n0.516940 0.927725 0.169220 P\n0.983060 0.927725 0.669220 P\n0.483060 0.072275 0.830780 P\n0.510793 0.460469 0.456088 P\n0.010793 0.539531 0.043912 P\n0.489207 0.539531 0.543912 P\n0.989207 0.460469 0.956088 P\n0.466174 0.767964 0.505513 S\n0.966174 0.232036 0.994487 S\n0.533826 0.232036 0.494487 S\n0.033826 0.767964 0.005513 S\n0.073780 0.917267 0.281790 S\n0.573780 0.082733 0.218210 S\n0.926220 0.082733 0.718210 S\n0.426220 0.917267 0.781790 S\n0.488141 0.716200 0.239182 S\n0.988141 0.283800 0.260818 S\n0.511859 0.283800 0.760818 S\n0.011859 0.716200 0.739182 S\n0.777090 0.021845 0.389775 S\n0.277090 0.978155 0.110225 S\n0.222910 0.978155 0.610225 S\n0.722910 0.021845 0.889775 S\n0.268362 0.540023 0.401277 S\n0.768362 0.459977 0.098723 S\n0.731638 0.459977 0.598723 S\n0.231638 0.540023 0.901277 S\n0.744204 0.568724 0.403699 S\n0.244204 0.431276 0.096301 S\n0.255796 0.431276 0.596301 S\n0.755796 0.568724 0.903699 S\n0.246565 0.066306 0.391584 S\n0.746565 0.933694 0.108416 S\n0.753435 0.933694 0.608416 S\n0.253435 0.066306 0.891584 S\n",
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{
"id": "mp-675781",
"created_at": "2022-09-04T14:40:17.340769Z",
"structure_string": "Cu3 Mo12 S16\n1.0\n6.520355 0.000000 0.000000\n0.950339 8.791672 0.000000\n0.225915 0.014090 9.535448\nCu Mo S\n3 12 16\ndirect\n0.073189 0.536765 0.424478 Cu\n0.931970 0.960969 0.076527 Cu\n0.985222 0.133641 0.808491 Cu\n0.212943 0.527034 0.932480 Mo\n0.218397 0.024961 0.430354 Mo\n0.401910 0.121132 0.663248 Mo\n0.458149 0.811268 0.594031 Mo\n0.544202 0.688040 0.907060 Mo\n0.594972 0.382001 0.835793 Mo\n0.403571 0.617809 0.163625 Mo\n0.449128 0.311372 0.094653 Mo\n0.547120 0.187641 0.402796 Mo\n0.597044 0.881883 0.336386 Mo\n0.782286 0.973648 0.567953 Mo\n0.783992 0.476234 0.070848 Mo\n0.129996 0.940148 0.669084 S\n0.272167 0.259642 0.879521 S\n0.128369 0.448438 0.178217 S\n0.274640 0.754229 0.381930 S\n0.210650 0.296053 0.496012 S\n0.380779 0.570548 0.707520 S\n0.202958 0.792207 0.005665 S\n0.382100 0.070439 0.205993 S\n0.614296 0.930214 0.793605 S\n0.797074 0.204131 0.008827 S\n0.616067 0.428341 0.292826 S\n0.796201 0.706687 0.493931 S\n0.719426 0.245354 0.619467 S\n0.865121 0.551079 0.828933 S\n0.726473 0.745870 0.118940 S\n0.872589 0.052720 0.322308 S\n",
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{
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