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{
"id": "mp-1247049",
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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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{
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"structure_string": "La6 Zn1 Sb15\n1.0\n9.853009 8.111742 0.000000\n-9.853009 8.111742 0.000000\n0.000000 1.168390 4.204433\nLa Zn Sb\n6 1 15\ndirect\n0.269516 0.000051 0.764209 La\n0.726921 0.995214 0.040647 La\n0.995214 0.726921 0.040647 La\n0.000051 0.269516 0.764209 La\n0.326815 0.676078 0.894178 La\n0.676078 0.326815 0.894178 La\n0.256213 0.256213 0.653291 Zn\n0.513108 0.915113 0.678439 Sb\n0.486190 0.080982 0.113896 Sb\n0.080982 0.486190 0.113896 Sb\n0.915113 0.513108 0.678439 Sb\n0.414112 0.414112 0.983291 Sb\n0.598994 0.598994 0.791257 Sb\n0.199046 0.797978 0.399538 Sb\n0.797978 0.199046 0.399538 Sb\n0.468868 0.245643 0.533810 Sb\n0.541584 0.753622 0.250997 Sb\n0.753622 0.541584 0.250997 Sb\n0.245643 0.468868 0.533810 Sb\n0.149051 0.149051 0.251923 Sb\n0.853128 0.853128 0.558647 Sb\n0.990771 0.990771 0.948261 Sb\n",
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},
{
"id": "mp-867174",
"created_at": "2022-09-04T14:39:05.928391Z",
"structure_string": "Sr1 Li2 Pb1\n1.0\n0.000000 3.637507 3.637507\n3.637507 0.000000 3.637507\n3.637507 3.637507 0.000000\nSr Li Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"chemical_system": "Li-Pb-Sr",
"density": 5.325336209804693,
"density_atomic": 0.041554540315062984,
"volume": 96.25903618888191,
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"formula_full": "Sr1 Li2 Pb1",
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},
{
"id": "mp-867173",
"created_at": "2022-09-04T14:39:05.512938Z",
"structure_string": "Sr1 In1 Hg2\n1.0\n0.000000 3.823966 3.823966\n3.823966 0.000000 3.823966\n3.823966 3.823966 0.000000\nSr In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"volume": 111.83353738741918,
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"formula_full": "Sr1 In1 Hg2",
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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",
"nsites": 36,
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"elements": [
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"chemical_system": "Al-N-O-Si-Sr",
"density": 3.5261966560194797,
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"volume": 462.77796949684,
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"formula_full": "Sr4 Al8 Si4 N8 O12",
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"energy": -278.89134209,
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},
{
"id": "mp-561157",
"created_at": "2022-09-04T14:39:05.933752Z",
"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",
"nsites": 84,
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"formula_full": "Sr12 Y8 B16 O48",
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{
"id": "mp-8198",
"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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"formula_full": "Rb12 Cu20 O16",
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{
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"created_at": "2022-09-04T14:39:05.514308Z",
"structure_string": "Nb6 Se8\n1.0\n5.086905 -8.810778 0.000000\n5.086905 8.810778 0.000000\n0.000000 0.000000 3.483239\nNb Se\n6 8\ndirect\n0.512656 0.892349 0.750000 Nb\n0.620307 0.512656 0.250000 Nb\n0.892349 0.379693 0.250000 Nb\n0.107651 0.620307 0.750000 Nb\n0.379693 0.487344 0.750000 Nb\n0.487344 0.107651 0.250000 Nb\n0.657847 0.719383 0.750000 Se\n0.938465 0.657847 0.250000 Se\n0.719383 0.061535 0.250000 Se\n0.280617 0.938465 0.750000 Se\n0.061535 0.342153 0.750000 Se\n0.342153 0.280617 0.250000 Se\n0.666667 0.333333 0.750000 Se\n0.333333 0.666667 0.250000 Se\n",
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"formula_full": "Nb6 Se8",
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{
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"structure_string": "Th2 Se1 N2\n1.0\n2.022784 -3.503564 0.000000\n2.022784 3.503564 0.000000\n0.000000 0.000000 7.199714\nTh Se N\n2 1 2\ndirect\n0.666667 0.333333 0.703462 Th\n0.333333 0.666667 0.296538 Th\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.626157 N\n0.666667 0.333333 0.373843 N\n",
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{
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{
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},
{
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"structure_string": "Tb6 Mg6 Se18\n1.0\n6.929893 0.000000 0.000000\n-3.464946 6.001463 0.000000\n0.000000 0.000000 19.291840\nTb Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.347606 Tb\n0.000000 0.000000 0.652394 Tb\n0.666667 0.333333 0.680939 Tb\n0.666667 0.333333 0.985727 Tb\n0.333333 0.666667 0.014273 Tb\n0.333333 0.666667 0.319061 Tb\n0.000000 0.000000 0.161124 Mg\n0.000000 0.000000 0.838876 Mg\n0.666667 0.333333 0.494457 Mg\n0.666667 0.333333 0.172209 Mg\n0.333333 0.666667 0.827791 Mg\n0.333333 0.666667 0.505543 Mg\n0.993730 0.360169 0.583418 Se\n0.006270 0.639831 0.416582 Se\n0.639831 0.633561 0.583418 Se\n0.360169 0.366439 0.416582 Se\n0.366439 0.006270 0.583418 Se\n0.633561 0.993730 0.416582 Se\n0.660397 0.693502 0.916751 Se\n0.672937 0.973164 0.749915 Se\n0.306498 0.966894 0.916751 Se\n0.026836 0.699772 0.749915 Se\n0.033106 0.339603 0.916751 Se\n0.300228 0.327063 0.749915 Se\n0.327063 0.026836 0.250085 Se\n0.339603 0.306498 0.083249 Se\n0.973164 0.300228 0.250085 Se\n0.693502 0.033106 0.083249 Se\n0.699772 0.672937 0.250085 Se\n0.966894 0.660397 0.083249 Se\n",
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}
]
}