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{
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{
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{
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"structure_string": "K1 Sr1 N1\n1.0\n0.000000 -2.409619 3.289747\n2.620757 -3.115153 0.245617\n5.362655 2.190541 4.131842\nK Sr N\n1 1 1\ndirect\n0.115319 0.719023 0.050339 K\n0.651598 0.258305 0.438499 Sr\n0.363083 0.968672 0.305163 N\n",
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"spacegroup": 160
},
{
"id": "mp-1023149",
"created_at": "2022-09-04T14:39:05.524906Z",
"structure_string": "Ca2 Mg12 Sb2\n1.0\n5.415906 0.000000 0.000000\n0.000000 6.292153 0.000000\n0.000000 0.000000 11.657814\nCa Mg Sb\n2 12 2\ndirect\n0.500000 0.000000 0.169532 Ca\n0.500000 0.500000 0.669532 Ca\n0.500000 0.248770 0.417475 Mg\n0.500000 0.751230 0.417475 Mg\n0.000000 0.746417 0.078809 Mg\n0.000000 0.253583 0.078809 Mg\n0.000000 0.000000 0.338071 Mg\n0.000000 0.500000 0.335576 Mg\n0.500000 0.748770 0.917475 Mg\n0.500000 0.251230 0.917475 Mg\n0.000000 0.246417 0.578809 Mg\n0.000000 0.753583 0.578809 Mg\n0.000000 0.500000 0.838071 Mg\n0.000000 0.000000 0.835576 Mg\n0.500000 0.500000 0.164250 Sb\n0.500000 0.000000 0.664250 Sb\n",
"nsites": 16,
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{
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{
"id": "mp-1030613",
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"structure_string": "Te4 Mo2 W2 Se4\n1.0\n1.718936 -2.977284 0.000000\n1.718936 2.977284 0.000000\n0.000000 0.000000 39.098958\nTe Mo W Se\n4 2 2 4\ndirect\n0.000000 0.000000 0.329225 Te\n0.000000 0.000000 0.705246 Te\n0.000000 0.000000 0.234373 Te\n0.000000 0.000000 0.609832 Te\n0.000000 0.000000 0.093909 Mo\n0.333333 0.666667 0.281782 Mo\n0.000000 0.000000 0.469657 W\n0.333333 0.666667 0.657550 W\n0.333333 0.666667 0.052114 Se\n0.333333 0.666667 0.427692 Se\n0.333333 0.666667 0.135757 Se\n0.333333 0.666667 0.511612 Se\n",
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"formula_full": "Te4 Mo2 W2 Se4",
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{
"id": "mp-554390",
"created_at": "2022-09-04T14:39:05.933463Z",
"structure_string": "Sr4 Al8 Si4 N8 O12\n1.0\n4.979595 0.000000 0.000000\n0.000000 8.128664 0.000000\n0.000000 0.000000 11.432981\nSr Al Si N O\n4 8 4 8 12\ndirect\n0.511161 0.040679 0.162354 Sr\n0.011161 0.459321 0.837646 Sr\n0.988839 0.959321 0.662354 Sr\n0.488839 0.540679 0.337646 Sr\n0.499613 0.663716 0.661280 Al\n0.999613 0.836284 0.338720 Al\n0.988897 0.528284 0.542812 Al\n0.500387 0.163716 0.838720 Al\n0.000387 0.336284 0.161280 Al\n0.488897 0.971716 0.457188 Al\n0.511103 0.471716 0.042812 Al\n0.011103 0.028284 0.957188 Al\n0.994241 0.701681 0.074567 Si\n0.505759 0.298319 0.574567 Si\n0.494241 0.798319 0.925433 Si\n0.005759 0.201681 0.425433 Si\n0.294155 0.157387 0.506660 N\n0.205845 0.842613 0.006660 N\n0.335462 0.481814 0.593610 N\n0.705845 0.657387 0.993340 N\n0.835462 0.018186 0.406390 N\n0.164538 0.518186 0.093610 N\n0.794155 0.342613 0.493340 N\n0.664538 0.981814 0.906390 N\n0.648651 0.368867 0.167857 O\n0.148651 0.131133 0.832143 O\n0.351349 0.868867 0.332143 O\n0.125397 0.291310 0.303793 O\n0.874603 0.791310 0.196207 O\n0.043852 0.152151 0.083333 O\n0.543852 0.347849 0.916667 O\n0.374603 0.708690 0.803793 O\n0.956148 0.652151 0.416667 O\n0.851349 0.631133 0.667857 O\n0.456148 0.847849 0.583333 O\n0.625397 0.208690 0.696207 O\n",
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"formula_full": "Sr4 Al8 Si4 N8 O12",
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{
"id": "mp-561157",
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"structure_string": "Sr12 Y8 B16 O48\n1.0\n7.412256 0.000000 0.000000\n0.000000 8.747868 0.000000\n0.000000 0.000000 16.338639\nSr Y B O\n12 8 16 48\ndirect\n0.028080 0.664155 0.225350 Sr\n0.308565 0.651354 0.681551 Sr\n0.691435 0.348646 0.181551 Sr\n0.827137 0.851876 0.430334 Sr\n0.672863 0.351876 0.930334 Sr\n0.172863 0.148124 0.930334 Sr\n0.327137 0.648124 0.430334 Sr\n0.808565 0.848646 0.681551 Sr\n0.191435 0.151354 0.181551 Sr\n0.471920 0.164155 0.725350 Sr\n0.971920 0.335845 0.725350 Sr\n0.528080 0.835845 0.225350 Sr\n0.494975 0.176394 0.390308 Y\n0.683557 0.471358 0.557470 Y\n0.183557 0.028642 0.557470 Y\n0.505025 0.823606 0.890308 Y\n0.005025 0.676394 0.890308 Y\n0.994975 0.323606 0.390308 Y\n0.316443 0.528642 0.057470 Y\n0.816443 0.971358 0.057470 Y\n0.169924 0.955643 0.356048 B\n0.658633 0.565950 0.765964 B\n0.486426 0.125575 0.051809 B\n0.830076 0.044357 0.856048 B\n0.013574 0.625575 0.551809 B\n0.289021 0.346595 0.553717 B\n0.841367 0.065950 0.265964 B\n0.710978 0.653405 0.053717 B\n0.669924 0.544357 0.356048 B\n0.986426 0.374425 0.051809 B\n0.341367 0.434050 0.265964 B\n0.513574 0.874425 0.551809 B\n0.789022 0.153405 0.553717 B\n0.158633 0.934050 0.765964 B\n0.210979 0.846595 0.053717 B\n0.330076 0.455643 0.856048 B\n0.585781 0.452456 0.414846 O\n0.888142 0.193463 0.847035 O\n0.887510 0.972037 0.201818 O\n0.461702 0.955216 0.481416 O\n0.202768 0.467963 0.320419 O\n0.702768 0.032037 0.320419 O\n0.961702 0.544784 0.481416 O\n0.555406 0.073906 0.125783 O\n0.944594 0.573906 0.625783 O\n0.388142 0.306537 0.847035 O\n0.612490 0.472037 0.701818 O\n0.126730 0.985367 0.059222 O\n0.689235 0.988206 0.809397 O\n0.268005 0.767122 0.121679 O\n0.914219 0.952456 0.914846 O\n0.431189 0.294971 0.273196 O\n0.387510 0.527963 0.201818 O\n0.263795 0.272406 0.478432 O\n0.112490 0.027963 0.701818 O\n0.373270 0.485367 0.559222 O\n0.931189 0.205029 0.273196 O\n0.231995 0.267122 0.621679 O\n0.768005 0.732878 0.121679 O\n0.085781 0.047544 0.414846 O\n0.414219 0.547544 0.914846 O\n0.611858 0.693463 0.347035 O\n0.189235 0.511794 0.809397 O\n0.383045 0.258165 0.048007 O\n0.731995 0.232878 0.621679 O\n0.444594 0.926094 0.625783 O\n0.873270 0.014633 0.559222 O\n0.797232 0.532037 0.820419 O\n0.736205 0.727594 0.978432 O\n0.297232 0.967963 0.820419 O\n0.111858 0.806537 0.347035 O\n0.568811 0.705029 0.773196 O\n0.116955 0.758165 0.548007 O\n0.538298 0.044784 0.981416 O\n0.055406 0.426094 0.125783 O\n0.068811 0.794971 0.773196 O\n0.038298 0.455216 0.981416 O\n0.626730 0.514633 0.059222 O\n0.763795 0.227594 0.478432 O\n0.616955 0.741835 0.548007 O\n0.883045 0.241835 0.048007 O\n0.310765 0.011794 0.309397 O\n0.810765 0.488206 0.309397 O\n0.236205 0.772406 0.978432 O\n",
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{
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"created_at": "2022-09-04T14:39:05.936658Z",
"structure_string": "Rb12 Cu20 O16\n1.0\n7.476453 0.000000 0.000000\n0.000000 9.959583 0.000000\n0.000000 4.126931 13.888486\nRb Cu O\n12 20 16\ndirect\n0.833948 0.398426 0.092856 Rb\n0.333948 0.601574 0.407144 Rb\n0.166052 0.601574 0.907144 Rb\n0.666052 0.398426 0.592856 Rb\n0.212330 0.227775 0.582396 Rb\n0.712330 0.772225 0.917604 Rb\n0.787670 0.772225 0.417604 Rb\n0.287670 0.227775 0.082396 Rb\n0.912433 0.175415 0.893707 Rb\n0.412433 0.824585 0.606293 Rb\n0.087567 0.824585 0.106293 Rb\n0.587567 0.175415 0.393707 Rb\n0.582745 0.435387 0.877614 Cu\n0.202235 0.960815 0.378753 Cu\n0.797765 0.039185 0.621247 Cu\n0.297765 0.960815 0.878753 Cu\n0.058480 0.201066 0.363939 Cu\n0.558480 0.798934 0.136061 Cu\n0.941520 0.798934 0.636061 Cu\n0.441520 0.201066 0.863939 Cu\n0.170097 0.437180 0.242111 Cu\n0.670097 0.562820 0.257889 Cu\n0.829903 0.562820 0.757889 Cu\n0.329903 0.437180 0.742111 Cu\n0.954298 0.067946 0.233104 Cu\n0.454298 0.932054 0.266896 Cu\n0.045702 0.932054 0.766896 Cu\n0.545702 0.067946 0.733104 Cu\n0.417255 0.564613 0.122386 Cu\n0.917255 0.435387 0.377614 Cu\n0.702235 0.039185 0.121247 Cu\n0.082745 0.564613 0.622386 Cu\n0.809860 0.496106 0.888813 O\n0.309860 0.503894 0.611187 O\n0.190140 0.503894 0.111187 O\n0.690140 0.496106 0.388813 O\n0.531953 0.027692 0.865515 O\n0.031953 0.972308 0.634485 O\n0.468047 0.972308 0.134485 O\n0.968047 0.027692 0.365515 O\n0.650359 0.631074 0.124179 O\n0.150359 0.368926 0.375821 O\n0.349641 0.368926 0.875821 O\n0.849641 0.631074 0.624179 O\n0.931430 0.107072 0.101889 O\n0.431430 0.892928 0.398111 O\n0.068570 0.892928 0.898111 O\n0.568570 0.107072 0.601889 O\n",
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{
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]
}