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{
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{
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{
"id": "mp-1519326",
"created_at": "2022-09-04T14:45:16.455456Z",
"structure_string": "Sr1 Tb1 Pr1 Mn1 O6\n1.0\n0.000000 -4.080576 -4.080576\n4.080576 0.000000 -4.080576\n4.080576 -4.080576 0.000000\nSr Tb Pr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Mn\n0.766980 0.233020 0.233020 O\n0.233020 0.766980 0.766980 O\n0.766980 0.233020 0.766980 O\n0.233020 0.766980 0.233020 O\n0.766980 0.766980 0.233020 O\n0.233020 0.233020 0.766980 O\n",
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"formula_full": "Sr1 Tb1 Pr1 Mn1 O6",
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{
"id": "mp-1080382",
"created_at": "2022-09-04T14:45:16.468098Z",
"structure_string": "Er1 In1 Pt4\n1.0\n0.000000 3.816990 3.816990\n3.816990 0.000000 3.816990\n3.816990 3.816990 0.000000\nEr In Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.250000 0.250000 0.250000 In\n0.624648 0.624648 0.126056 Pt\n0.624648 0.126056 0.624648 Pt\n0.126056 0.624648 0.624648 Pt\n0.624648 0.624648 0.624648 Pt\n",
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{
"id": "mp-746670",
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"structure_string": "Co4 H88 C12 N24 O32\n1.0\n9.707302 0.000000 0.000000\n0.000000 10.291615 0.000000\n0.000000 0.000000 13.241458\nCo H C N O\n4 88 12 24 32\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.640513 0.013847 0.837898 H\n0.359487 0.986153 0.837898 H\n0.140513 0.486153 0.662102 H\n0.859487 0.513847 0.662102 H\n0.359487 0.986153 0.162102 H\n0.640513 0.013847 0.162102 H\n0.859487 0.513847 0.337898 H\n0.140513 0.486153 0.337898 H\n0.601555 0.856960 0.861005 H\n0.398445 0.143040 0.861005 H\n0.101555 0.643040 0.638995 H\n0.898445 0.356960 0.638995 H\n0.398445 0.143040 0.138995 H\n0.601555 0.856960 0.138995 H\n0.898445 0.356960 0.361005 H\n0.101555 0.643040 0.361005 H\n0.727390 0.929599 0.923739 H\n0.272610 0.070401 0.923739 H\n0.227390 0.570401 0.576261 H\n0.772610 0.429599 0.576261 H\n0.272610 0.070401 0.076261 H\n0.727390 0.929599 0.076261 H\n0.772610 0.429599 0.423739 H\n0.227390 0.570401 0.423739 H\n0.564661 0.226580 0.937779 H\n0.435339 0.773420 0.937779 H\n0.064661 0.273420 0.562221 H\n0.935339 0.726580 0.562221 H\n0.435339 0.773420 0.062221 H\n0.564661 0.226580 0.062221 H\n0.935339 0.726580 0.437779 H\n0.064661 0.273420 0.437779 H\n0.695693 0.159141 0.000000 H\n0.304307 0.840859 0.000000 H\n0.195693 0.340859 0.500000 H\n0.804307 0.659141 0.500000 H\n0.023122 0.366032 0.840901 H\n0.976878 0.633968 0.840901 H\n0.523122 0.133968 0.659099 H\n0.476878 0.866032 0.659099 H\n0.976878 0.633968 0.159099 H\n0.023122 0.366032 0.159099 H\n0.476878 0.866032 0.340901 H\n0.523122 0.133968 0.340901 H\n0.919130 0.287823 0.920967 H\n0.080870 0.712177 0.920967 H\n0.419130 0.212177 0.579033 H\n0.580870 0.787823 0.579033 H\n0.080870 0.712177 0.079033 H\n0.919130 0.287823 0.079033 H\n0.580870 0.787823 0.420967 H\n0.419130 0.212177 0.420967 H\n0.857173 0.410043 0.854660 H\n0.142827 0.589957 0.854660 H\n0.357173 0.089957 0.645340 H\n0.642827 0.910043 0.645340 H\n0.142827 0.589957 0.145340 H\n0.857173 0.410043 0.145340 H\n0.642827 0.910043 0.354660 H\n0.357173 0.089957 0.354660 H\n0.756660 0.562027 0.937795 H\n0.243340 0.437973 0.937795 H\n0.256660 0.937973 0.562205 H\n0.743340 0.062027 0.562205 H\n0.243340 0.437973 0.062205 H\n0.756660 0.562027 0.062205 H\n0.743340 0.062027 0.437795 H\n0.256660 0.937973 0.437795 H\n0.832035 0.683458 0.000000 H\n0.167965 0.316542 0.000000 H\n0.332035 0.816542 0.500000 H\n0.667965 0.183458 0.500000 H\n0.769612 0.145639 0.721978 H\n0.230388 0.854361 0.721978 H\n0.269612 0.354361 0.778022 H\n0.730388 0.645639 0.778022 H\n0.230388 0.854361 0.278022 H\n0.769612 0.145639 0.278022 H\n0.730388 0.645639 0.221978 H\n0.269612 0.354361 0.221978 H\n0.666328 0.244600 0.773574 H\n0.333672 0.755400 0.773574 H\n0.166328 0.255400 0.726426 H\n0.833672 0.744600 0.726426 H\n0.333672 0.755400 0.226426 H\n0.666328 0.244600 0.226426 H\n0.833672 0.744600 0.273574 H\n0.166328 0.255400 0.273574 H\n0.998763 0.076237 0.000000 C\n0.001237 0.923763 0.000000 C\n0.498763 0.423763 0.500000 C\n0.501237 0.576237 0.500000 C\n0.525547 0.427646 0.831550 C\n0.474453 0.572354 0.831550 C\n0.025547 0.072354 0.668450 C\n0.974453 0.927646 0.668450 C\n0.474453 0.572354 0.168450 C\n0.525547 0.427646 0.168450 C\n0.974453 0.927646 0.331550 C\n0.025547 0.072354 0.331550 C\n0.630543 0.943575 0.893410 N\n0.369457 0.056425 0.893410 N\n0.130543 0.556425 0.606590 N\n0.869457 0.443575 0.606590 N\n0.369457 0.056425 0.106590 N\n0.630543 0.943575 0.106590 N\n0.869457 0.443575 0.393410 N\n0.130543 0.556425 0.393410 N\n0.590406 0.172132 0.000000 N\n0.409594 0.827868 0.000000 N\n0.090406 0.327868 0.500000 N\n0.909594 0.672132 0.500000 N\n0.943336 0.378135 0.892027 N\n0.056664 0.621865 0.892027 N\n0.443336 0.121865 0.607973 N\n0.556664 0.878135 0.607973 N\n0.056664 0.621865 0.107973 N\n0.943336 0.378135 0.107973 N\n0.556664 0.878135 0.392027 N\n0.443336 0.121865 0.392027 N\n0.815460 0.584180 0.000000 N\n0.184540 0.415820 0.000000 N\n0.315460 0.915820 0.500000 N\n0.684540 0.084180 0.500000 N\n0.881633 0.130915 0.000000 O\n0.118367 0.869085 0.000000 O\n0.381633 0.369085 0.500000 O\n0.618367 0.630915 0.500000 O\n0.113422 0.135097 0.000000 O\n0.886578 0.864903 0.000000 O\n0.613422 0.364903 0.500000 O\n0.386578 0.635097 0.500000 O\n0.654468 0.408227 0.827597 O\n0.345532 0.591773 0.827597 O\n0.154468 0.091773 0.672403 O\n0.845532 0.908227 0.672403 O\n0.345532 0.591773 0.172403 O\n0.654468 0.408227 0.172403 O\n0.845532 0.908227 0.327597 O\n0.154468 0.091773 0.327597 O\n0.434734 0.339072 0.836334 O\n0.565266 0.660928 0.836334 O\n0.934734 0.160928 0.663666 O\n0.065266 0.839072 0.663666 O\n0.565266 0.660928 0.163666 O\n0.434734 0.339072 0.163666 O\n0.065266 0.839072 0.336334 O\n0.934734 0.160928 0.336334 O\n0.673928 0.154141 0.748041 O\n0.326072 0.845859 0.748041 O\n0.173928 0.345859 0.751959 O\n0.826072 0.654141 0.751959 O\n0.326072 0.845859 0.251959 O\n0.673928 0.154141 0.251959 O\n0.826072 0.654141 0.248041 O\n0.173928 0.345859 0.248041 O\n",
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{
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{
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"structure_string": "Cu12 Sn12 Pd24\n1.0\n3.942044 0.000000 0.000000\n0.000000 12.379009 0.000000\n0.000000 0.000000 15.591496\nCu Sn Pd\n12 12 24\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.247756 Cu\n0.500000 0.500000 0.752244 Cu\n0.500000 0.161056 0.500000 Cu\n0.500000 0.838944 0.500000 Cu\n0.500000 0.000000 0.376018 Cu\n0.500000 0.000000 0.623982 Cu\n0.000000 0.167820 0.125179 Cu\n0.000000 0.832180 0.874821 Cu\n0.000000 0.832180 0.125179 Cu\n0.000000 0.167820 0.874821 Cu\n0.000000 0.000000 0.000000 Sn\n0.000000 0.328448 0.251575 Sn\n0.000000 0.671552 0.748425 Sn\n0.000000 0.671552 0.251575 Sn\n0.000000 0.328448 0.748425 Sn\n0.000000 0.333170 0.000000 Sn\n0.000000 0.666830 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.331881 0.500000 Sn\n0.000000 0.668119 0.500000 Sn\n0.000000 0.000000 0.251457 Sn\n0.000000 0.000000 0.748543 Sn\n0.500000 0.163401 0.248782 Pd\n0.500000 0.836599 0.751218 Pd\n0.500000 0.836599 0.248782 Pd\n0.500000 0.163401 0.751218 Pd\n0.000000 0.159750 0.383956 Pd\n0.000000 0.840250 0.616044 Pd\n0.000000 0.840250 0.383956 Pd\n0.000000 0.159750 0.616044 Pd\n0.000000 0.500000 0.373061 Pd\n0.000000 0.500000 0.626939 Pd\n0.000000 0.500000 0.126472 Pd\n0.000000 0.500000 0.873528 Pd\n0.500000 0.336609 0.376833 Pd\n0.500000 0.663391 0.623167 Pd\n0.500000 0.663391 0.376833 Pd\n0.500000 0.336609 0.623167 Pd\n0.500000 0.164519 0.000000 Pd\n0.500000 0.835481 0.000000 Pd\n0.500000 0.334640 0.123772 Pd\n0.500000 0.665360 0.876228 Pd\n0.500000 0.665360 0.123772 Pd\n0.500000 0.334640 0.876228 Pd\n0.500000 0.000000 0.124302 Pd\n0.500000 0.000000 0.875698 Pd\n",
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{
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"structure_string": "Na4 Br4 O12\n1.0\n7.779176 0.000000 0.000000\n0.000000 7.779176 0.000000\n0.000000 0.000000 7.779176\nNa Br O\n4 4 12\ndirect\n0.498730 0.998730 0.501270 Na\n0.998730 0.501270 0.498730 Na\n0.501270 0.498730 0.998730 Na\n0.001270 0.001270 0.001270 Na\n0.050960 0.550960 0.949040 Br\n0.550960 0.949040 0.050960 Br\n0.949040 0.050960 0.550960 Br\n0.449040 0.449040 0.449040 Br\n0.234785 0.452193 0.891125 O\n0.108875 0.734785 0.047807 O\n0.952193 0.608875 0.765215 O\n0.734785 0.047807 0.108875 O\n0.608875 0.765215 0.952193 O\n0.452193 0.891125 0.234785 O\n0.765215 0.952193 0.608875 O\n0.891125 0.234785 0.452193 O\n0.047807 0.108875 0.734785 O\n0.265215 0.547807 0.391125 O\n0.391125 0.265215 0.547807 O\n0.547807 0.391125 0.265215 O\n",
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{
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"structure_string": "Li4 Fe3 Co3 Ni2 O16\n1.0\n2.883499 5.002716 0.000000\n-2.883499 5.002716 0.000000\n0.000000 0.044605 9.560263\nLi Fe Co Ni O\n4 3 3 2 16\ndirect\n0.664113 0.664113 0.105022 Li\n0.005077 0.005077 0.000591 Li\n0.005718 0.005718 0.502507 Li\n0.330604 0.330604 0.609217 Li\n0.829984 0.829984 0.784779 Fe\n0.168086 0.660733 0.284871 Fe\n0.660733 0.168086 0.284871 Fe\n0.336658 0.830393 0.786852 Co\n0.830393 0.336658 0.786852 Co\n0.169001 0.169001 0.287914 Co\n0.668015 0.668015 0.512452 Ni\n0.332600 0.332600 0.010383 Ni\n0.323005 0.848794 0.392484 O\n0.518719 0.518719 0.675062 O\n0.659136 0.659136 0.894242 O\n0.006918 0.006918 0.688100 O\n0.006793 0.006793 0.186339 O\n0.848794 0.323005 0.392484 O\n0.509441 0.962375 0.670212 O\n0.962375 0.509441 0.670212 O\n0.159270 0.159270 0.886017 O\n0.840357 0.840357 0.397306 O\n0.034456 0.471771 0.168100 O\n0.471771 0.034456 0.168100 O\n0.328798 0.328798 0.398789 O\n0.166906 0.681105 0.891973 O\n0.480828 0.480828 0.164404 O\n0.681105 0.166906 0.891973 O\n",
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"volume": 275.81983199417294,
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"formula_full": "Li4 Fe3 Co3 Ni2 O16",
"formula_reduced": "Li4Fe3Co3(NiO8)2",
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{
"id": "mp-1193478",
"created_at": "2022-09-04T14:45:16.207292Z",
"structure_string": "Rb4 Mn4 Cl12 O8\n1.0\n7.050344 0.000000 0.000000\n0.000000 9.291690 0.000000\n0.000000 0.000000 11.134832\nRb Mn Cl O\n4 4 12 8\ndirect\n0.000000 0.750000 0.635987 Rb\n0.000000 0.250000 0.864013 Rb\n0.000000 0.250000 0.364013 Rb\n0.000000 0.750000 0.135987 Rb\n0.558695 0.500000 0.750000 Mn\n0.441305 0.000000 0.750000 Mn\n0.441305 0.500000 0.250000 Mn\n0.558695 0.000000 0.250000 Mn\n0.772413 0.578630 0.892802 Cl\n0.227587 0.921370 0.892802 Cl\n0.227587 0.078630 0.607198 Cl\n0.772413 0.421370 0.607198 Cl\n0.227587 0.421370 0.107198 Cl\n0.772413 0.078630 0.107198 Cl\n0.772413 0.921370 0.392802 Cl\n0.227587 0.578630 0.392802 Cl\n0.500000 0.750000 0.651993 Cl\n0.500000 0.250000 0.848007 Cl\n0.500000 0.250000 0.348007 Cl\n0.500000 0.750000 0.151993 Cl\n0.279180 0.529351 0.803217 O\n0.720820 0.970649 0.803217 O\n0.720820 0.029351 0.696783 O\n0.279180 0.470649 0.696783 O\n0.720820 0.470649 0.196783 O\n0.279180 0.029351 0.196783 O\n0.279180 0.970649 0.303217 O\n0.720820 0.529351 0.303217 O\n",
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"elements": [
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],
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"formula_full": "Rb4 Mn4 Cl12 O8",
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{
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"structure_string": "Mn1 Fe10 N8\n1.0\n7.832171 -0.228090 0.126531\n1.039889 3.678292 -0.000000\n1.796149 -0.507789 5.984730\nMn Fe N\n1 10 8\ndirect\n-0.000000 0.500000 0.500000 Mn\n0.466374 0.766814 0.844931 Fe\n0.533626 0.233186 0.155069 Fe\n0.021659 0.989170 0.780334 Fe\n0.978341 0.010830 0.219666 Fe\n0.653483 0.673259 0.416782 Fe\n0.346517 0.326741 0.583218 Fe\n0.803502 0.598249 0.974774 Fe\n0.196498 0.401751 0.025226 Fe\n0.713112 0.143444 0.653589 Fe\n0.286888 0.856556 0.346411 Fe\n0.230674 0.884663 0.054564 N\n0.769326 0.115337 0.945436 N\n0.389290 0.805354 0.591764 N\n0.610710 0.194646 0.408236 N\n0.729534 0.635234 0.694128 N\n0.270466 0.364766 0.305872 N\n0.079946 0.460027 0.779228 N\n0.920054 0.539973 0.220772 N\n",
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"formula_full": "Mn1 Fe10 N8",
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{
"id": "mp-1028825",
"created_at": "2022-09-04T14:45:16.213937Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.697602 -2.940333 0.000000\n1.697602 2.940333 0.000000\n0.000000 0.000000 38.815394\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.706206 Te\n0.333333 0.666667 0.421292 Te\n0.333333 0.666667 0.517761 Te\n0.000000 0.000000 0.609151 Te\n0.000000 0.000000 0.469513 Mo\n0.000000 0.000000 0.093936 W\n0.333333 0.666667 0.281752 W\n0.333333 0.666667 0.657713 W\n0.000000 0.000000 0.324439 Se\n0.000000 0.000000 0.239088 Se\n0.333333 0.666667 0.055103 S\n0.333333 0.666667 0.132795 S\n",
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]
}