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{
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"results": [
{
"id": "mp-606393",
"created_at": "2022-09-04T14:40:10.040756Z",
"structure_string": "Nb4 Br12 O4\n1.0\n11.932700 0.000000 0.000000\n0.000000 11.932700 0.000000\n0.000000 0.000000 4.001312\nNb Br O\n4 12 4\ndirect\n0.126188 0.373812 0.195785 Nb\n0.873812 0.626188 0.195785 Nb\n0.373812 0.873812 0.804215 Nb\n0.626188 0.126188 0.804215 Nb\n0.601425 0.898575 0.744897 Br\n0.898575 0.398575 0.255103 Br\n0.398575 0.101425 0.744897 Br\n0.830704 0.104638 0.744663 Br\n0.101425 0.601425 0.255103 Br\n0.895362 0.830704 0.255337 Br\n0.169296 0.895362 0.744663 Br\n0.395362 0.669296 0.744663 Br\n0.669296 0.604638 0.255337 Br\n0.104638 0.169296 0.255337 Br\n0.330704 0.395362 0.255337 Br\n0.604638 0.330704 0.744663 Br\n0.880372 0.619628 0.747035 O\n0.619628 0.119628 0.252965 O\n0.119628 0.380372 0.747035 O\n0.380372 0.880372 0.252965 O\n",
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{
"id": "mp-1245156",
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"structure_string": "V30 O75\n1.0\n11.723771 0.870055 -0.160547\n0.883888 11.573558 0.461483\n-0.150317 0.450495 11.958791\nV O\n30 75\ndirect\n0.523013 0.805671 0.995985 V\n0.782235 0.547989 0.726026 V\n0.132769 0.140528 0.702259 V\n0.249879 0.935337 0.521155 V\n0.667220 0.169439 0.191599 V\n0.176779 0.398989 0.378494 V\n0.244887 0.748211 0.093543 V\n0.137811 0.455461 0.715153 V\n0.047111 0.647841 0.925987 V\n0.586865 0.211319 0.772534 V\n0.640748 0.654273 0.242574 V\n0.261609 0.131612 0.094773 V\n0.978002 0.101405 0.441563 V\n0.840838 0.834968 0.701956 V\n0.721612 0.256725 0.514388 V\n0.076130 0.723347 0.536905 V\n0.861994 0.096916 0.843118 V\n0.042222 0.469187 0.134339 V\n0.568647 0.583206 0.516312 V\n0.424744 0.345062 0.511120 V\n0.770198 0.389193 0.162487 V\n0.022044 0.867295 0.270883 V\n0.965990 0.163622 0.112838 V\n0.452620 0.824243 0.392977 V\n0.487059 0.068403 0.429779 V\n0.361148 0.076711 0.895504 V\n0.914632 0.463930 0.509212 V\n0.546824 0.417879 0.976336 V\n0.436173 0.313671 0.219215 V\n0.775934 0.896472 0.113506 V\n0.213086 0.999021 0.642751 O\n0.914286 0.818292 0.198702 O\n0.463275 0.303879 0.644260 O\n0.498658 0.112929 0.782213 O\n0.509379 0.948389 0.332371 O\n0.937484 0.366791 0.139540 O\n0.716703 0.762247 0.245473 O\n0.910743 0.483809 0.658084 O\n0.804284 0.372017 0.492186 O\n0.780872 0.472867 0.845097 O\n0.844294 0.955513 0.011532 O\n0.587692 0.310133 0.456123 O\n0.402689 0.204275 0.455836 O\n0.991982 0.025442 0.170226 O\n0.280277 0.621173 0.158933 O\n0.605669 0.202325 0.068054 O\n0.709065 0.130043 0.856562 O\n0.249390 0.032314 0.978179 O\n0.661482 0.329865 0.240067 O\n0.400153 0.968379 0.510784 O\n0.469760 0.956701 0.942576 O\n0.494733 0.723996 0.296521 O\n0.963346 0.964104 0.373386 O\n0.060012 0.746421 0.389644 O\n0.522175 0.735047 0.519299 O\n0.045990 0.396605 0.459870 O\n0.463029 0.409443 0.098197 O\n0.276222 0.133798 0.771666 O\n0.643083 0.568192 0.397202 O\n0.373541 0.793905 0.048956 O\n0.076773 0.534007 0.832897 O\n0.878331 0.591092 0.441942 O\n0.719279 0.014396 0.195177 O\n0.666891 0.848189 0.036875 O\n0.455420 0.504498 0.508234 O\n0.494518 0.540827 0.911677 O\n0.371755 0.399062 0.315120 O\n0.148571 0.833261 0.192362 O\n0.870619 0.959953 0.774354 O\n0.113463 0.192882 0.101959 O\n0.580943 0.669466 0.108845 O\n0.035745 0.143740 0.571981 O\n0.683530 0.234490 0.653107 O\n0.372904 0.185077 0.982196 O\n0.153213 0.017997 0.433264 O\n0.106191 0.501965 0.264925 O\n0.923229 0.156919 0.974536 O\n0.187660 0.794591 0.573168 O\n0.271038 0.396002 0.505140 O\n0.819083 0.213246 0.169753 O\n0.876242 0.198304 0.747012 O\n0.955055 0.793047 0.603683 O\n0.546350 0.320993 0.863538 O\n0.760275 0.521879 0.220063 O\n0.541356 0.745417 0.880175 O\n0.148958 0.419411 0.060284 O\n0.991345 0.195938 0.337454 O\n0.065973 0.080892 0.804563 O\n0.732566 0.890828 0.621052 O\n0.658632 0.530132 0.638188 O\n0.977989 0.601378 0.051658 O\n0.273316 0.446013 0.743383 O\n0.605798 0.064788 0.501660 O\n0.108975 0.309245 0.707077 O\n0.188924 0.272599 0.331056 O\n0.693821 0.423265 0.034466 O\n0.298090 0.032721 0.196910 O\n0.105876 0.576086 0.592968 O\n0.817647 0.139788 0.464517 O\n0.161312 0.722776 0.969070 O\n0.308106 0.825833 0.399302 O\n0.327904 0.250934 0.168719 O\n0.953742 0.749409 0.858409 O\n0.534010 0.176719 0.280013 O\n0.785694 0.696351 0.745209 O\n",
"nsites": 105,
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"elements": [
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"volume": 1610.5998579241395,
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"formula_full": "V30 O75",
"formula_reduced": "V2O5",
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"energy": -874.51430997,
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"spacegroup": 1
},
{
"id": "mp-1193451",
"created_at": "2022-09-04T14:40:10.050436Z",
"structure_string": "Na2 Co4 S4 O16\n1.0\n0.016882 -0.008092 -6.341446\n2.359638 -6.693328 3.010667\n-8.298459 0.008567 3.049570\nNa Co S O\n2 4 4 16\ndirect\n0.553972 0.194097 0.900598 Na\n0.446028 0.805903 0.099402 Na\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.197543 0.184527 0.206343 Co\n0.802457 0.815473 0.793657 Co\n0.056263 0.285937 0.838258 S\n0.943737 0.714063 0.161742 S\n0.236712 0.741611 0.707317 S\n0.763288 0.258389 0.292683 S\n0.182022 0.251829 0.725670 O\n0.817978 0.748171 0.274330 O\n0.212488 0.748605 0.270217 O\n0.787512 0.251395 0.729783 O\n0.019251 0.116416 0.920067 O\n0.980749 0.883584 0.079933 O\n0.258871 0.904873 0.615472 O\n0.741129 0.095127 0.384528 O\n0.481877 0.168327 0.155891 O\n0.518123 0.831673 0.844109 O\n0.873304 0.208738 0.172493 O\n0.126696 0.791262 0.827507 O\n0.266679 0.115739 0.419710 O\n0.733321 0.884261 0.580290 O\n0.369340 0.425349 0.287372 O\n0.630660 0.574651 0.712628 O\n",
"nsites": 26,
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"formula_full": "Na2 Co4 S4 O16",
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"updated_at": "2021-11-28T01:34:57.235000Z",
"spacegroup": 2
},
{
"id": "mp-1016930",
"created_at": "2022-09-04T14:40:10.056905Z",
"structure_string": "Zn1 Ge1 O3\n1.0\n3.721961 0.000000 0.000000\n0.000000 3.721961 0.000000\n0.000000 0.000000 3.721961\nZn Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Zn1 Ge1 O3",
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{
"id": "mp-26639",
"created_at": "2022-09-04T14:40:10.062196Z",
"structure_string": "Li4 Co4 P8 O28\n1.0\n4.926562 0.000000 0.000000\n0.000000 8.204901 0.000000\n0.000000 5.630507 11.713905\nLi Co P O\n4 4 8 28\ndirect\n0.228525 0.569447 0.797344 Li\n0.271475 0.569447 0.297344 Li\n0.728525 0.430553 0.702656 Li\n0.771475 0.430553 0.202656 Li\n0.261979 0.726667 0.534837 Co\n0.761979 0.273333 0.965163 Co\n0.738021 0.273333 0.465163 Co\n0.238021 0.726667 0.034837 Co\n0.768880 0.694806 0.386416 P\n0.259411 0.162912 0.361102 P\n0.268880 0.305194 0.113584 P\n0.240589 0.162912 0.861102 P\n0.231120 0.305194 0.613584 P\n0.731120 0.694806 0.886416 P\n0.740589 0.837088 0.638898 P\n0.759411 0.837088 0.138898 P\n0.665614 0.524943 0.374810 O\n0.834386 0.524943 0.874810 O\n0.784267 0.851043 0.758848 O\n0.897270 0.751491 0.962693 O\n0.284267 0.148957 0.741152 O\n0.446997 0.306544 0.862880 O\n0.950282 0.245407 0.843932 O\n0.715733 0.851043 0.258848 O\n0.553003 0.693456 0.137120 O\n0.214044 0.978547 0.453472 O\n0.714044 0.021453 0.046528 O\n0.925389 0.317334 0.586307 O\n0.785956 0.021453 0.546528 O\n0.397270 0.248509 0.537307 O\n0.574611 0.317334 0.086307 O\n0.946997 0.693456 0.637120 O\n0.602730 0.751491 0.462693 O\n0.074611 0.682666 0.413693 O\n0.049718 0.754593 0.156068 O\n0.425389 0.682666 0.913693 O\n0.053003 0.306544 0.362880 O\n0.215733 0.148957 0.241152 O\n0.549718 0.245407 0.343932 O\n0.165614 0.475057 0.125190 O\n0.450282 0.754593 0.656068 O\n0.334386 0.475057 0.625190 O\n0.102730 0.248509 0.037307 O\n0.285956 0.978547 0.953472 O\n",
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"formula_full": "Li4 Co4 P8 O28",
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{
"id": "mp-770588",
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"structure_string": "Li4 Fe2 H8 S4 O20\n1.0\n5.584152 0.000000 0.000000\n-2.548149 6.974015 0.000000\n-1.591144 -2.905746 9.996927\nLi Fe H S O\n4 2 8 4 20\ndirect\n0.791974 0.226651 0.580247 Li\n0.869852 0.293919 0.133057 Li\n0.130148 0.706081 0.866943 Li\n0.208026 0.773349 0.419753 Li\n0.495856 0.484883 0.750894 Fe\n0.504144 0.515117 0.249106 Fe\n0.664676 0.198852 0.794325 H\n0.399128 0.093235 0.678820 H\n0.509191 0.188948 0.284755 H\n0.390857 0.116363 0.130063 H\n0.609143 0.883637 0.869937 H\n0.490809 0.811052 0.715245 H\n0.600872 0.906765 0.321180 H\n0.335324 0.801148 0.205675 H\n0.132595 0.270211 0.934972 S\n0.153547 0.262140 0.429798 S\n0.846453 0.737860 0.570202 S\n0.867405 0.729789 0.065028 S\n0.277431 0.140788 0.922081 O\n0.568820 0.210621 0.709068 O\n0.336033 0.158633 0.416892 O\n0.843888 0.159844 0.919554 O\n0.878637 0.121906 0.412638 O\n0.779012 0.584694 0.926863 O\n0.163121 0.389867 0.834416 O\n0.226847 0.402796 0.568111 O\n0.158739 0.380324 0.329244 O\n0.539348 0.222513 0.200388 O\n0.460652 0.777487 0.799612 O\n0.841261 0.619676 0.670756 O\n0.773153 0.597204 0.431889 O\n0.836879 0.610133 0.165584 O\n0.220988 0.415306 0.073137 O\n0.121363 0.878094 0.587362 O\n0.156112 0.840156 0.080446 O\n0.663967 0.841367 0.583108 O\n0.431180 0.789379 0.290932 O\n0.722569 0.859212 0.077919 O\n",
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"density": 2.541077045508908,
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"formula_full": "Li4 Fe2 H8 S4 O20",
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},
{
"id": "mp-557322",
"created_at": "2022-09-04T14:40:10.146822Z",
"structure_string": "Bi4 Te2 Br2 O9\n1.0\n5.665140 0.000000 0.000000\n0.000000 5.665140 0.000000\n0.000000 0.000000 9.913860\nBi Te Br O\n4 2 2 9\ndirect\n0.000000 0.000000 0.796590 Bi\n0.500000 0.000000 0.554309 Bi\n0.000000 0.500000 0.554309 Bi\n0.500000 0.500000 0.810273 Bi\n0.000000 0.000000 0.293384 Te\n0.500000 0.500000 0.363187 Te\n0.000000 0.500000 0.967807 Br\n0.500000 0.000000 0.967807 Br\n0.259588 0.259588 0.323373 O\n0.000000 0.000000 0.485916 O\n0.256012 0.256012 0.680348 O\n0.740412 0.259588 0.323373 O\n0.256012 0.743988 0.680348 O\n0.743988 0.743988 0.680348 O\n0.740412 0.740412 0.323373 O\n0.259588 0.740412 0.323373 O\n0.743988 0.256012 0.680348 O\n",
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{
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