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{
"id": "mp-1027881",
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"structure_string": "Cs1 Mg14 Fe1\n1.0\n6.596039 0.146141 0.000000\n-3.171457 5.493124 0.000000\n0.000000 0.000000 10.624558\nCs Mg Fe\n1 14 1\ndirect\n0.089819 0.794909 0.125000 Cs\n0.168367 0.334183 0.625000 Mg\n0.179185 0.839592 0.625000 Mg\n0.602112 0.301789 0.125000 Mg\n0.663777 0.323908 0.625000 Mg\n0.602112 0.800321 0.125000 Mg\n0.663777 0.839867 0.625000 Mg\n0.349026 0.186276 0.377876 Mg\n0.349026 0.186276 0.872124 Mg\n0.349026 0.662751 0.377876 Mg\n0.349026 0.662751 0.872124 Mg\n0.869765 0.184883 0.344706 Mg\n0.869765 0.184883 0.905294 Mg\n0.829411 0.664706 0.406678 Mg\n0.829411 0.664706 0.843322 Mg\n0.236397 0.368198 0.125000 Fe\n",
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{
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"structure_string": "K2 Li4 Mn2 P2 C2 O14\n1.0\n-0.048080 -0.000059 5.556841\n-0.000039 6.867109 -0.000093\n-8.830876 0.000083 0.286216\nK Li Mn P C O\n2 4 2 2 2 14\ndirect\n0.220968 0.465905 0.771943 K\n0.778950 0.965909 0.228005 K\n0.205514 0.919490 0.800280 Li\n0.658599 0.069923 0.852089 Li\n0.341284 0.569912 0.147887 Li\n0.794394 0.419490 0.199688 Li\n0.778122 0.770032 0.623269 Mn\n0.221809 0.269998 0.376708 Mn\n0.716408 0.279056 0.569887 P\n0.283516 0.779061 0.430087 P\n0.716221 0.729973 0.943608 C\n0.283721 0.229990 0.056366 C\n0.346244 0.137048 0.934101 O\n0.936574 0.786590 0.916596 O\n0.553275 0.778303 0.845678 O\n0.803665 0.095761 0.658242 O\n0.782146 0.460854 0.663394 O\n0.161514 0.784953 0.593105 O\n0.439642 0.266171 0.557075 O\n0.560282 0.766227 0.442906 O\n0.838410 0.284946 0.406870 O\n0.217741 0.960832 0.336560 O\n0.196298 0.595733 0.341757 O\n0.446679 0.278286 0.154301 O\n0.063387 0.286654 0.083381 O\n0.653662 0.637038 0.065877 O\n",
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},
{
"id": "mp-1017467",
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"structure_string": "Ca1 Mn1 O3\n1.0\n3.801716 0.000000 0.000000\n0.000000 3.801716 0.000000\n0.000000 0.000000 3.801716\nCa Mn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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},
{
"id": "mp-1207998",
"created_at": "2022-09-04T14:46:02.542958Z",
"structure_string": "Y16 Mg4 Co4\n1.0\n0.000000 6.814018 6.814018\n6.814018 0.000000 6.814018\n6.814018 6.814018 0.000000\nY Mg Co\n16 4 4\ndirect\n0.344428 0.344428 0.344428 Y\n0.344428 0.344428 0.966716 Y\n0.344428 0.966716 0.344428 Y\n0.966716 0.344428 0.344428 Y\n0.813630 0.186370 0.186370 Y\n0.186370 0.813630 0.813630 Y\n0.186370 0.813630 0.186370 Y\n0.813630 0.186370 0.813630 Y\n0.186370 0.186370 0.813630 Y\n0.813630 0.813630 0.186370 Y\n0.936993 0.563007 0.563007 Y\n0.563007 0.936993 0.936993 Y\n0.563007 0.936993 0.563007 Y\n0.936993 0.563007 0.936993 Y\n0.563007 0.563007 0.936993 Y\n0.936993 0.936993 0.563007 Y\n0.578753 0.578753 0.578753 Mg\n0.578753 0.578753 0.263741 Mg\n0.578753 0.263741 0.578753 Mg\n0.263741 0.578753 0.578753 Mg\n0.140692 0.140692 0.140692 Co\n0.140692 0.140692 0.577924 Co\n0.140692 0.577924 0.140692 Co\n0.577924 0.140692 0.140692 Co\n",
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"spacegroup": 216
},
{
"id": "mp-1078794",
"created_at": "2022-09-04T14:46:02.715820Z",
"structure_string": "Ce2 Ni4 Sn4\n1.0\n4.447025 0.000000 0.000000\n0.000000 4.447025 0.000000\n0.000000 0.000000 10.051861\nCe Ni Sn\n2 4 4\ndirect\n0.000000 0.500000 0.238379 Ce\n0.500000 0.000000 0.761621 Ce\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.626878 Ni\n0.500000 0.000000 0.373122 Ni\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.874181 Sn\n0.500000 0.000000 0.125819 Sn\n",
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"density": 8.268580103773273,
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"formula_full": "Ce2 Ni4 Sn4",
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{
"id": "mp-1019548",
"created_at": "2022-09-04T14:46:02.899843Z",
"structure_string": "Ba4 Ge4 S24 O84\n1.0\n7.735115 0.000000 0.000000\n0.000000 13.244513 0.000000\n0.000000 0.000000 17.289163\nBa Ge S O\n4 4 24 84\ndirect\n0.252399 0.512012 0.479219 Ba\n0.247601 0.487988 0.979219 Ba\n0.752399 0.987988 0.520781 Ba\n0.747601 0.012012 0.020781 Ba\n0.254805 0.766530 0.232286 Ge\n0.245195 0.233470 0.732286 Ge\n0.754805 0.733470 0.767714 Ge\n0.745195 0.266530 0.267714 Ge\n0.245861 0.935569 0.106855 S\n0.254139 0.064431 0.606855 S\n0.745861 0.564431 0.893145 S\n0.754139 0.435569 0.393145 S\n0.268875 0.534285 0.248466 S\n0.231125 0.465715 0.748466 S\n0.768875 0.965715 0.751534 S\n0.731125 0.034285 0.251534 S\n0.036319 0.758870 0.081728 S\n0.463681 0.241130 0.581728 S\n0.536319 0.741130 0.918272 S\n0.963681 0.258870 0.418272 S\n0.475304 0.780538 0.382854 S\n0.024696 0.219462 0.882854 S\n0.975304 0.719462 0.617146 S\n0.524696 0.280538 0.117146 S\n0.108292 0.813154 0.396542 S\n0.391708 0.186846 0.896542 S\n0.608292 0.686846 0.603458 S\n0.891708 0.313154 0.103458 S\n0.534370 0.622404 0.153644 S\n0.965630 0.377596 0.653644 S\n0.034370 0.877596 0.846356 S\n0.465630 0.122404 0.346356 S\n0.273072 0.467541 0.313810 O\n0.226928 0.532459 0.813810 O\n0.773072 0.032459 0.686190 O\n0.726928 0.967541 0.186190 O\n0.212309 0.638594 0.277746 O\n0.287691 0.361406 0.777746 O\n0.712309 0.861406 0.722254 O\n0.787691 0.138594 0.222254 O\n0.053570 0.749819 0.169095 O\n0.446430 0.250181 0.669095 O\n0.553570 0.750181 0.830905 O\n0.946430 0.249819 0.330905 O\n0.285751 0.897356 0.188525 O\n0.214249 0.102644 0.688525 O\n0.785751 0.602644 0.811475 O\n0.714249 0.397356 0.311475 O\n0.454637 0.794465 0.295620 O\n0.045363 0.205535 0.795620 O\n0.954637 0.705535 0.704380 O\n0.545363 0.294465 0.204380 O\n0.475891 0.553007 0.229321 O\n0.024109 0.446993 0.729321 O\n0.975891 0.946993 0.770679 O\n0.524109 0.053007 0.270679 O\n0.621943 0.837167 0.408630 O\n0.878057 0.162833 0.908630 O\n0.121943 0.662833 0.591370 O\n0.378057 0.337167 0.091370 O\n0.203741 0.831554 0.058038 O\n0.296259 0.168446 0.558038 O\n0.703741 0.668446 0.941962 O\n0.796259 0.331554 0.441962 O\n0.457517 0.677047 0.406063 O\n0.042483 0.322953 0.906063 O\n0.957517 0.822953 0.593937 O\n0.542483 0.177047 0.093937 O\n0.881407 0.812788 0.062626 O\n0.618593 0.187212 0.562626 O\n0.381407 0.687212 0.937374 O\n0.118593 0.312788 0.437374 O\n0.405891 0.710491 0.155529 O\n0.094109 0.289509 0.655529 O\n0.905891 0.789509 0.844471 O\n0.594109 0.210491 0.344471 O\n0.073788 0.666574 0.042129 O\n0.426212 0.333426 0.542129 O\n0.573788 0.833426 0.957871 O\n0.926212 0.166574 0.457871 O\n0.104990 0.824163 0.308643 O\n0.395010 0.175837 0.808643 O\n0.604990 0.675837 0.691357 O\n0.895010 0.324163 0.191357 O\n0.310609 0.844838 0.418550 O\n0.189391 0.155162 0.918550 O\n0.810609 0.655162 0.581450 O\n0.689391 0.344838 0.081450 O\n0.400234 0.972024 0.071052 O\n0.099766 0.027976 0.571052 O\n0.900234 0.527976 0.928948 O\n0.599766 0.472024 0.428948 O\n0.093661 0.997742 0.105882 O\n0.406339 0.002258 0.605882 O\n0.593661 0.502258 0.894118 O\n0.906339 0.497742 0.394118 O\n0.011929 0.893744 0.430334 O\n0.488071 0.106256 0.930334 O\n0.511929 0.606256 0.569666 O\n0.988071 0.393744 0.069666 O\n0.079754 0.711651 0.422491 O\n0.420246 0.288349 0.922491 O\n0.579754 0.788349 0.577509 O\n0.920246 0.211651 0.077509 O\n0.501654 0.564373 0.084626 O\n0.998346 0.435627 0.584626 O\n0.001654 0.935627 0.915374 O\n0.498346 0.064373 0.415374 O\n0.183559 0.506055 0.178537 O\n0.316441 0.493945 0.678537 O\n0.683559 0.993945 0.821463 O\n0.816441 0.006055 0.321463 O\n0.706856 0.650570 0.172212 O\n0.793144 0.349430 0.672212 O\n0.206856 0.849430 0.827788 O\n0.293144 0.150570 0.327788 O\n",
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{
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{
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"structure_string": "Ba4 Co2 Si4 O14\n1.0\n5.485599 0.000000 0.000000\n0.000000 8.319162 0.000000\n0.000000 0.000000 8.319162\nBa Co Si O\n4 2 4 14\ndirect\n0.009337 0.334178 0.165822 Ba\n0.990663 0.165822 0.665822 Ba\n0.990663 0.834178 0.334178 Ba\n0.009337 0.665822 0.834178 Ba\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.541399 0.636280 0.136280 Si\n0.458601 0.136280 0.363720 Si\n0.458601 0.863720 0.636280 Si\n0.541399 0.363720 0.863720 Si\n0.638945 0.500000 0.000000 O\n0.361055 0.000000 0.500000 O\n0.246419 0.639074 0.139074 O\n0.753582 0.139074 0.360926 O\n0.753582 0.860926 0.639074 O\n0.246419 0.360926 0.860926 O\n0.676814 0.804217 0.078130 O\n0.323186 0.078130 0.195783 O\n0.323186 0.921870 0.804217 O\n0.676814 0.195783 0.921870 O\n0.323186 0.304217 0.421870 O\n0.323186 0.695783 0.578130 O\n0.676814 0.421870 0.695783 O\n0.676814 0.578130 0.304217 O\n",
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