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{
"id": "mp-1210626",
"created_at": "2022-09-04T14:42:28.461940Z",
"structure_string": "Mn4 N1 O8\n1.0\n-4.979638 4.979638 1.471856\n4.979638 -4.979638 1.471856\n4.979638 4.979638 -1.471856\nMn N O\n4 1 8\ndirect\n0.666385 0.151076 0.817461 Mn\n0.333615 0.848924 0.182539 Mn\n0.151076 0.333615 0.484692 Mn\n0.848924 0.666385 0.515308 Mn\n0.000000 0.000000 0.000000 N\n0.704361 0.344042 0.048403 O\n0.295639 0.655958 0.951597 O\n0.344042 0.295639 0.639680 O\n0.655958 0.704361 0.360320 O\n0.956907 0.335869 0.292776 O\n0.043093 0.664131 0.707224 O\n0.335869 0.043093 0.378962 O\n0.664131 0.956907 0.621038 O\n",
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{
"id": "mp-1102728",
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{
"id": "mp-1521613",
"created_at": "2022-09-04T14:42:28.507571Z",
"structure_string": "Ba4 Sr4 Y4 Sb4 O24\n1.0\n8.454919 0.000000 0.000000\n0.000000 8.448144 0.000000\n0.000000 0.000000 8.447016\nBa Sr Y Sb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n-0.000000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.252209 0.250519 0.250526 Y\n0.747791 0.749481 0.250526 Y\n0.747791 0.250519 0.749474 Y\n0.252209 0.749481 0.749474 Y\n0.746717 0.749200 0.750132 Sb\n0.253283 0.250800 0.750132 Sb\n0.253283 0.749200 0.249868 Sb\n0.746717 0.250800 0.249868 Sb\n0.984844 0.229939 0.268805 O\n0.015156 0.770061 0.268805 O\n0.015156 0.229939 0.731195 O\n0.984844 0.770061 0.731195 O\n0.279032 0.986190 0.224540 O\n0.279032 0.013810 0.775460 O\n0.720968 0.013810 0.224540 O\n0.720968 0.986190 0.775460 O\n0.233244 0.272320 0.986888 O\n0.766756 0.272320 0.013112 O\n0.233244 0.727680 0.013112 O\n0.766756 0.727680 0.986888 O\n0.512473 0.281901 0.222808 O\n0.487527 0.718099 0.222808 O\n0.487527 0.281901 0.777192 O\n0.512473 0.718099 0.777192 O\n0.225550 0.513692 0.281783 O\n0.225550 0.486308 0.718217 O\n0.774450 0.486308 0.281783 O\n0.774450 0.513692 0.718217 O\n0.280856 0.220934 0.514481 O\n0.719144 0.220934 0.485519 O\n0.280856 0.779066 0.485519 O\n0.719144 0.779066 0.514481 O\n",
"nsites": 40,
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"elements": [
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],
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"density_atomic": 0.0662957846838313,
"volume": 603.3566114461497,
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"formula_full": "Ba4 Sr4 Y4 Sb4 O24",
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{
"id": "mp-1202225",
"created_at": "2022-09-04T14:42:28.536385Z",
"structure_string": "Mg8 S8 O48\n1.0\n9.525563 0.000000 0.000000\n0.000000 9.942972 0.000000\n0.000000 0.000000 11.194459\nMg S O\n8 8 48\ndirect\n0.815366 0.588497 0.516179 Mg\n0.684634 0.411503 0.016179 Mg\n0.184634 0.088497 0.983821 Mg\n0.315366 0.911503 0.483821 Mg\n0.642984 0.067811 0.758615 Mg\n0.857016 0.932189 0.258615 Mg\n0.357016 0.567811 0.741385 Mg\n0.142984 0.432189 0.241385 Mg\n0.669861 0.886234 0.513497 S\n0.830139 0.113766 0.013497 S\n0.330139 0.386234 0.986503 S\n0.169861 0.613766 0.486503 S\n0.667064 0.402846 0.724640 S\n0.832936 0.597154 0.224640 S\n0.332936 0.902846 0.775360 S\n0.167064 0.097154 0.275360 S\n0.520619 0.903413 0.480252 O\n0.979381 0.096587 0.980252 O\n0.479381 0.403413 0.019748 O\n0.020619 0.596587 0.519748 O\n0.705651 0.975842 0.614240 O\n0.794349 0.024158 0.114240 O\n0.294349 0.475842 0.885760 O\n0.205651 0.524158 0.385760 O\n0.759419 0.921964 0.410634 O\n0.740581 0.078036 0.910634 O\n0.240581 0.421964 0.089366 O\n0.259419 0.578036 0.589366 O\n0.696089 0.745006 0.549567 O\n0.803911 0.254994 0.049567 O\n0.303911 0.245006 0.950433 O\n0.196089 0.754994 0.450433 O\n0.769091 0.452013 0.635084 O\n0.730909 0.547987 0.135084 O\n0.230909 0.952013 0.864916 O\n0.269091 0.047987 0.364916 O\n0.532204 0.474066 0.708349 O\n0.967796 0.525934 0.208349 O\n0.467796 0.974066 0.791651 O\n0.032204 0.025934 0.291651 O\n0.724118 0.429931 0.845394 O\n0.775882 0.570069 0.345394 O\n0.275882 0.929931 0.654606 O\n0.224118 0.070069 0.154606 O\n0.645811 0.256805 0.707303 O\n0.854189 0.743195 0.207303 O\n0.354189 0.756805 0.792697 O\n0.145811 0.243195 0.292697 O\n0.783824 0.257338 0.422195 O\n0.716176 0.742662 0.922195 O\n0.216176 0.757338 0.077805 O\n0.283824 0.242662 0.577805 O\n0.511815 0.427765 0.442451 O\n0.988185 0.572235 0.942451 O\n0.488185 0.927765 0.057549 O\n0.011815 0.072235 0.557549 O\n0.989841 0.077757 0.665760 O\n0.510159 0.922243 0.165760 O\n0.010159 0.577757 0.834240 O\n0.489841 0.422243 0.334240 O\n0.743452 0.779441 0.819718 O\n0.756548 0.220559 0.319718 O\n0.256548 0.279441 0.680282 O\n0.243452 0.720559 0.180282 O\n",
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"elements": [
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"volume": 1060.2541479215265,
"volume_molar": 9.976562062745774,
"formula_full": "Mg8 S8 O48",
"formula_reduced": "MgSO6",
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{
"id": "mp-13797",
"created_at": "2022-09-04T14:42:28.538011Z",
"structure_string": "K2 Na1 Cu1 F6\n1.0\n0.000000 4.185432 4.185432\n4.185432 0.000000 4.185432\n4.185432 4.185432 0.000000\nK Na Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n0.769535 0.230465 0.769535 F\n0.230465 0.230465 0.769535 F\n0.769535 0.769535 0.230465 F\n0.769535 0.230465 0.230465 F\n0.230465 0.769535 0.230465 F\n0.230465 0.769535 0.769535 F\n",
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{
"id": "mp-1020145",
"created_at": "2022-09-04T14:42:28.545986Z",
"structure_string": "Na8 Ge4 S24 O84\n1.0\n9.938187 0.000000 0.000000\n0.000000 13.015210 0.000000\n0.000000 0.000000 14.963754\nNa Ge S O\n8 4 24 84\ndirect\n0.559231 0.198151 0.959552 Na\n0.940769 0.801849 0.459551 Na\n0.059231 0.301849 0.040448 Na\n0.440769 0.698151 0.540448 Na\n0.885097 0.182227 0.384352 Na\n0.614903 0.817773 0.884352 Na\n0.385097 0.317773 0.615648 Na\n0.114903 0.682227 0.115648 Na\n0.433446 0.033342 0.276558 Ge\n0.066554 0.966658 0.776558 Ge\n0.933446 0.466658 0.723442 Ge\n0.566554 0.533342 0.223442 Ge\n0.166592 0.903783 0.275527 S\n0.333408 0.096217 0.775527 S\n0.666592 0.596217 0.724473 S\n0.833408 0.403783 0.224473 S\n0.520708 0.969227 0.087255 S\n0.979292 0.030773 0.587255 S\n0.020708 0.530773 0.912745 S\n0.479292 0.469227 0.412745 S\n0.152653 0.118407 0.226233 S\n0.347347 0.881593 0.726233 S\n0.652653 0.381593 0.773767 S\n0.847347 0.618407 0.273767 S\n0.698818 0.105519 0.179983 S\n0.801182 0.894481 0.679983 S\n0.198818 0.394481 0.820017 S\n0.301182 0.605519 0.320017 S\n0.528005 0.114092 0.460828 S\n0.971995 0.885908 0.960828 S\n0.028005 0.385908 0.539172 S\n0.471995 0.614092 0.039172 S\n0.615233 0.908914 0.416902 S\n0.884767 0.091086 0.916902 S\n0.115233 0.591086 0.583098 S\n0.384767 0.408914 0.083098 S\n0.565785 0.124439 0.228941 O\n0.934215 0.875560 0.728941 O\n0.065785 0.375561 0.771059 O\n0.434215 0.624440 0.271059 O\n0.306385 0.125488 0.225392 O\n0.193615 0.874512 0.725392 O\n0.806385 0.374512 0.774608 O\n0.693615 0.625488 0.274608 O\n0.292345 0.946864 0.321258 O\n0.207655 0.053136 0.821258 O\n0.792345 0.553136 0.678742 O\n0.707655 0.446864 0.178742 O\n0.472063 0.058448 0.041214 O\n0.027937 0.941552 0.541214 O\n0.972063 0.441552 0.958786 O\n0.527937 0.558448 0.458786 O\n0.568335 0.944233 0.325291 O\n0.931665 0.055767 0.825291 O\n0.068335 0.555767 0.674709 O\n0.431665 0.444233 0.174709 O\n0.126054 0.996380 0.203794 O\n0.373946 0.003620 0.703794 O\n0.626054 0.503620 0.796206 O\n0.873946 0.496380 0.296206 O\n0.440335 0.947858 0.172417 O\n0.059665 0.052142 0.672417 O\n0.940335 0.552142 0.827583 O\n0.559665 0.447858 0.327583 O\n0.758377 0.921498 0.423372 O\n0.741623 0.078502 0.923372 O\n0.258377 0.578502 0.576628 O\n0.241623 0.421498 0.076628 O\n0.425260 0.111004 0.384532 O\n0.074740 0.888996 0.884532 O\n0.925260 0.388996 0.615468 O\n0.574740 0.611004 0.115468 O\n0.193752 0.818493 0.217873 O\n0.306248 0.181507 0.717873 O\n0.693752 0.681507 0.782127 O\n0.806248 0.318493 0.282127 O\n0.101397 0.169462 0.148774 O\n0.398603 0.830538 0.648774 O\n0.601397 0.330538 0.851226 O\n0.898603 0.669462 0.351226 O\n0.060433 0.895718 0.339662 O\n0.439567 0.104282 0.839662 O\n0.560433 0.604282 0.660338 O\n0.939567 0.395718 0.160338 O\n0.465778 0.155861 0.538821 O\n0.034222 0.844139 0.038821 O\n0.965778 0.344139 0.461179 O\n0.534222 0.655861 0.961179 O\n0.097295 0.141627 0.312511 O\n0.402705 0.858373 0.812511 O\n0.597295 0.358373 0.687489 O\n0.902705 0.641627 0.187489 O\n0.540237 0.875278 0.039305 O\n0.959763 0.124722 0.539305 O\n0.040237 0.624722 0.960695 O\n0.459763 0.375278 0.460695 O\n0.542691 0.990513 0.486296 O\n0.957309 0.009487 0.986296 O\n0.042691 0.509487 0.513704 O\n0.457309 0.490513 0.013704 O\n0.807376 0.081746 0.239278 O\n0.692624 0.918254 0.739278 O\n0.307376 0.418254 0.760722 O\n0.192624 0.581746 0.260722 O\n0.657252 0.150534 0.432745 O\n0.842748 0.849466 0.932745 O\n0.157252 0.349466 0.567255 O\n0.342748 0.650534 0.067255 O\n0.716618 0.182394 0.112374 O\n0.783382 0.817606 0.612374 O\n0.216618 0.317606 0.887626 O\n0.283382 0.682394 0.387626 O\n0.558142 0.812230 0.442396 O\n0.941858 0.187770 0.942396 O\n0.058142 0.687770 0.557604 O\n0.441858 0.312230 0.057604 O\n0.671384 0.994251 0.127910 O\n0.828616 0.005749 0.627910 O\n0.171384 0.505749 0.872090 O\n0.328616 0.494251 0.372090 O\n",
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{
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"structure_string": "Ba1 Ga2\n1.0\n2.240176 -3.880098 0.000000\n2.240176 3.880098 0.000000\n0.000000 0.000000 5.110307\nBa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
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{
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"structure_string": "Tb4 In2 Ge4\n1.0\n7.445991 0.000000 0.000000\n0.000000 7.445991 0.000000\n0.000000 0.000000 4.216167\nTb In Ge\n4 2 4\ndirect\n0.321894 0.821894 0.500000 Tb\n0.678106 0.178106 0.500000 Tb\n0.178106 0.321894 0.500000 Tb\n0.821894 0.678106 0.500000 Tb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.621582 0.878418 0.000000 Ge\n0.378418 0.121582 0.000000 Ge\n0.878418 0.378418 0.000000 Ge\n0.121582 0.621582 0.000000 Ge\n",
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