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{
"id": "mp-1177555",
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"structure_string": "Li8 Mn10 Fe8 O36\n1.0\n2.912402 0.000000 0.000000\n0.000000 9.108436 0.000000\n0.000000 0.036604 24.782805\nLi Mn Fe O\n8 10 8 36\ndirect\n0.500000 0.817306 0.990357 Li\n0.500000 0.789246 0.206745 Li\n0.500000 0.706563 0.702884 Li\n0.500000 0.684304 0.490599 Li\n0.500000 0.316931 0.508710 Li\n0.500000 0.295156 0.299054 Li\n0.500000 0.206522 0.796590 Li\n0.500000 0.184932 0.008630 Li\n0.500000 0.000116 0.500096 Mn\n0.500000 0.999984 0.103934 Mn\n0.000000 0.846138 0.810100 Mn\n0.000000 0.653965 0.308938 Mn\n0.500000 0.498912 0.603573 Mn\n0.500000 0.501843 0.998698 Mn\n0.500000 0.501827 0.396371 Mn\n0.000000 0.346495 0.690777 Mn\n0.000000 0.156139 0.190068 Mn\n0.500000 0.999401 0.896895 Mn\n0.500000 0.993021 0.306387 Fe\n0.000000 0.844447 0.587758 Fe\n0.000000 0.653020 0.087180 Fe\n0.500000 0.507267 0.807313 Fe\n0.500000 0.486457 0.191824 Fe\n0.000000 0.344286 0.911928 Fe\n0.000000 0.155695 0.412496 Fe\n0.500000 0.008103 0.693648 Fe\n0.500000 0.009838 0.422094 O\n0.500000 0.990249 0.578051 O\n0.000000 0.943312 0.942476 O\n0.000000 0.959209 0.157971 O\n0.000000 0.874778 0.668304 O\n0.500000 0.893677 0.761851 O\n0.000000 0.857257 0.502267 O\n0.000000 0.856171 0.283238 O\n0.500000 0.807523 0.859113 O\n0.500000 0.803246 0.080933 O\n0.500000 0.694402 0.579605 O\n0.500000 0.693358 0.358217 O\n0.000000 0.644898 0.785295 O\n0.000000 0.645062 0.001474 O\n0.500000 0.607840 0.260961 O\n0.000000 0.614292 0.166710 O\n0.000000 0.541728 0.657464 O\n0.000000 0.557194 0.442022 O\n0.500000 0.508740 0.076236 O\n0.500000 0.491112 0.920627 O\n0.000000 0.442769 0.558175 O\n0.000000 0.458480 0.342460 O\n0.000000 0.372322 0.831668 O\n0.500000 0.394852 0.738740 O\n0.000000 0.358914 0.996955 O\n0.000000 0.357816 0.214990 O\n0.500000 0.306722 0.641894 O\n0.500000 0.305792 0.420458 O\n0.500000 0.194614 0.921102 O\n0.500000 0.193763 0.141112 O\n0.000000 0.145363 0.716264 O\n0.000000 0.143203 0.497886 O\n0.500000 0.110666 0.238657 O\n0.000000 0.125917 0.331913 O\n0.000000 0.041829 0.843116 O\n0.000000 0.055020 0.058150 O\n",
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"formula_full": "Li8 Mn10 Fe8 O36",
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"spacegroup": 6
},
{
"id": "mp-8007",
"created_at": "2022-09-04T14:41:20.990613Z",
"structure_string": "Li2 U2 O6\n1.0\n5.262421 -2.740319 0.000000\n5.262421 2.740319 0.000000\n3.835445 0.000000 4.526786\nLi U O\n2 2 6\ndirect\n0.534877 0.534877 0.534877 Li\n0.034877 0.034877 0.034877 Li\n0.761797 0.761797 0.761797 U\n0.261797 0.261797 0.261797 U\n0.155240 0.497325 0.870761 O\n0.370761 0.997325 0.655240 O\n0.997325 0.655240 0.370761 O\n0.655240 0.370761 0.997325 O\n0.870761 0.155240 0.497325 O\n0.497325 0.870761 0.155240 O\n",
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"density_atomic": 0.07659374933172627,
"volume": 130.55895666747116,
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"formula_full": "Li2 U2 O6",
"formula_reduced": "LiUO3",
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"updated_at": "2021-11-28T01:35:17.244000Z",
"spacegroup": 161
},
{
"id": "mp-20009",
"created_at": "2022-09-04T14:41:17.333198Z",
"structure_string": "Na2 Pr4 Os2 O12\n1.0\n6.012254 0.000000 0.000000\n0.000000 5.602085 0.000000\n0.000000 5.471926 8.073744\nNa Pr Os O\n2 4 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.429569 0.773733 0.246571 Pr\n0.070431 0.773733 0.746571 Pr\n0.929569 0.226267 0.253429 Pr\n0.570431 0.226267 0.753429 Pr\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.719221 0.732314 0.431882 O\n0.219221 0.267686 0.068118 O\n0.280779 0.267686 0.568118 O\n0.780779 0.732314 0.931882 O\n0.049612 0.612086 0.269469 O\n0.549612 0.387914 0.230531 O\n0.950388 0.387914 0.730531 O\n0.450388 0.612086 0.769469 O\n0.326723 0.843506 0.948581 O\n0.826723 0.156494 0.551419 O\n0.673277 0.156494 0.051419 O\n0.173277 0.843506 0.448581 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 7.218180029876784,
"density_atomic": 0.07354751556446755,
"volume": 271.93304690855456,
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"formula_full": "Na2 Pr4 Os2 O12",
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{
"id": "mp-542284",
"created_at": "2022-09-04T14:41:17.354188Z",
"structure_string": "Rb4 Co2 H24 Se4 O28\n1.0\n12.731807 0.000000 0.000000\n0.000000 6.456322 0.000000\n0.000000 2.329469 9.082199\nRb Co H Se O\n4 2 24 4 28\ndirect\n0.346051 0.656428 0.131431 Rb\n0.846051 0.343572 0.368569 Rb\n0.653949 0.343572 0.868569 Rb\n0.153949 0.656428 0.631431 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.087677 0.689290 0.199435 H\n0.587677 0.310710 0.300565 H\n0.912323 0.310710 0.800565 H\n0.412323 0.689290 0.699435 H\n0.124177 0.910300 0.235500 H\n0.624177 0.089700 0.264500 H\n0.875823 0.089700 0.764500 H\n0.375823 0.910300 0.735500 H\n0.096329 0.072892 0.728841 H\n0.596329 0.927108 0.771159 H\n0.903671 0.927108 0.271159 H\n0.403671 0.072892 0.228841 H\n0.184372 0.998993 0.850253 H\n0.684372 0.001007 0.649747 H\n0.815628 0.001007 0.149747 H\n0.315628 0.998993 0.350253 H\n0.944914 0.677919 0.899396 H\n0.444914 0.322081 0.600604 H\n0.055086 0.322081 0.100604 H\n0.555086 0.677919 0.399396 H\n0.865252 0.688171 0.027510 H\n0.365252 0.311829 0.472490 H\n0.134748 0.311829 0.972490 H\n0.634748 0.688171 0.527510 H\n0.140634 0.267762 0.400854 Se\n0.640634 0.732238 0.099146 Se\n0.859366 0.732238 0.599146 Se\n0.359366 0.267762 0.900854 Se\n0.246659 0.416778 0.412955 O\n0.746659 0.583222 0.087045 O\n0.753341 0.583222 0.587045 O\n0.253341 0.416778 0.912955 O\n0.069426 0.230030 0.554763 O\n0.569426 0.769970 0.945237 O\n0.930574 0.769970 0.445237 O\n0.430574 0.230030 0.054763 O\n0.066172 0.403871 0.260134 O\n0.566172 0.596129 0.239866 O\n0.933828 0.596129 0.739866 O\n0.433828 0.403871 0.760134 O\n0.179032 0.032362 0.370408 O\n0.679032 0.967638 0.129592 O\n0.820968 0.967638 0.629592 O\n0.320968 0.032362 0.870408 O\n0.108827 0.839874 0.154742 O\n0.608827 0.160126 0.345258 O\n0.891173 0.160126 0.845258 O\n0.391173 0.839874 0.654742 O\n0.110219 0.972018 0.826312 O\n0.610219 0.027982 0.673688 O\n0.889781 0.027982 0.173688 O\n0.389781 0.972018 0.326312 O\n0.939794 0.717387 0.995528 O\n0.439794 0.282613 0.504472 O\n0.060206 0.282613 0.004472 O\n0.560206 0.717387 0.495528 O\n",
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"elements": [
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],
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"density_atomic": 0.0830472866016097,
"volume": 746.5626215751431,
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"formula_full": "Rb4 Co2 H24 Se4 O28",
"formula_reduced": "Rb2CoH12(SeO7)2",
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"energy": -338.86218813,
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"spacegroup": 14
},
{
"id": "mp-1189988",
"created_at": "2022-09-04T14:41:17.367919Z",
"structure_string": "Nb8 Cr2 Si6\n1.0\n0.000000 0.000000 -4.950064\n-4.972796 -4.972796 -2.475032\n-4.972796 4.972796 -2.475032\nNb Cr Si\n8 2 6\ndirect\n0.220674 0.698795 0.859857 Nb\n0.779326 0.301205 0.140143 Nb\n0.279326 0.140143 0.301205 Nb\n0.720674 0.859857 0.698795 Nb\n0.080531 0.140143 0.698795 Nb\n0.919469 0.859857 0.301205 Nb\n0.580531 0.698795 0.140143 Nb\n0.419469 0.301205 0.859857 Nb\n0.750000 0.500000 0.500000 Cr\n0.250000 0.500000 0.500000 Cr\n0.653961 0.192079 0.500000 Si\n0.346039 0.807921 0.500000 Si\n0.846039 0.500000 0.807921 Si\n0.153961 0.500000 0.192079 Si\n0.250000 0.000000 0.000000 Si\n0.750000 0.000000 0.000000 Si\n",
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],
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"density": 6.88963952831776,
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"volume": 244.81729584400577,
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"formula_full": "Nb8 Cr2 Si6",
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{
"id": "mp-554698",
"created_at": "2022-09-04T14:41:21.780857Z",
"structure_string": "K20 Mn2 Mo14 O54\n1.0\n8.131978 0.000000 0.000000\n0.000000 10.820507 0.000000\n0.000000 0.000000 18.777756\nK Mn Mo O\n20 2 14 54\ndirect\n0.048774 0.692866 0.677860 K\n0.048774 0.692866 0.322140 K\n0.264888 0.508633 0.152272 K\n0.951226 0.192866 0.177860 K\n0.908024 0.623084 0.000000 K\n0.381803 0.766424 0.500000 K\n0.735112 0.008633 0.347728 K\n0.264888 0.508633 0.847728 K\n0.739784 0.522391 0.183982 K\n0.735112 0.008633 0.652272 K\n0.381993 0.365330 0.640787 K\n0.618007 0.865330 0.140787 K\n0.260216 0.022391 0.316018 K\n0.951226 0.192866 0.822140 K\n0.739784 0.522391 0.816018 K\n0.260216 0.022391 0.683982 K\n0.091976 0.123084 0.500000 K\n0.618197 0.266424 0.000000 K\n0.618007 0.865330 0.859213 K\n0.381993 0.365330 0.359213 K\n0.706040 0.512476 0.500000 Mn\n0.293960 0.012476 0.000000 Mn\n0.467536 0.178202 0.168910 Mo\n0.906601 0.347628 0.345872 Mo\n0.111550 0.499920 0.500000 Mo\n0.900040 0.822707 0.500000 Mo\n0.888450 0.999920 0.000000 Mo\n0.093399 0.847628 0.154128 Mo\n0.556392 0.181359 0.500000 Mo\n0.093399 0.847628 0.845872 Mo\n0.467536 0.178202 0.831090 Mo\n0.906601 0.347628 0.654128 Mo\n0.443608 0.681359 0.000000 Mo\n0.532464 0.678202 0.668910 Mo\n0.532464 0.678202 0.331090 Mo\n0.099960 0.322707 0.000000 Mo\n0.998544 0.886843 0.422638 O\n0.207496 0.571725 0.574512 O\n0.564133 0.068236 0.772859 O\n0.023323 0.207738 0.646561 O\n0.906590 0.437518 0.429963 O\n0.703691 0.308119 0.678916 O\n0.449318 0.128079 0.421716 O\n0.410187 0.100775 0.086742 O\n0.198506 0.349922 0.500000 O\n0.762409 0.124907 0.500000 O\n0.001456 0.386843 0.922638 O\n0.093410 0.937518 0.070037 O\n0.296309 0.808119 0.821084 O\n0.589813 0.600775 0.413258 O\n0.976677 0.707738 0.853439 O\n0.713946 0.735210 0.712459 O\n0.713946 0.735210 0.287541 O\n0.449318 0.128079 0.578284 O\n0.991914 0.440242 0.724219 O\n0.286054 0.235210 0.787541 O\n0.008086 0.940242 0.775781 O\n0.398315 0.804629 0.647686 O\n0.550682 0.628079 0.078284 O\n0.601685 0.304629 0.852314 O\n0.008086 0.940242 0.224219 O\n0.991914 0.440242 0.275781 O\n0.920465 0.652710 0.500000 O\n0.435867 0.568236 0.727141 O\n0.207496 0.571725 0.425488 O\n0.435867 0.568236 0.272859 O\n0.079535 0.152710 0.000000 O\n0.998544 0.886843 0.577362 O\n0.792504 0.071725 0.925488 O\n0.564041 0.349158 0.500000 O\n0.435959 0.849158 0.000000 O\n0.398315 0.804629 0.352314 O\n0.564133 0.068236 0.227141 O\n0.792504 0.071725 0.074512 O\n0.296309 0.808119 0.178916 O\n0.023323 0.207738 0.353439 O\n0.311000 0.360668 0.000000 O\n0.906590 0.437518 0.570037 O\n0.703691 0.308119 0.321084 O\n0.689000 0.860668 0.500000 O\n0.237591 0.624907 0.000000 O\n0.601685 0.304629 0.147686 O\n0.550682 0.628079 0.921716 O\n0.976677 0.707738 0.146561 O\n0.286054 0.235210 0.212459 O\n0.589813 0.600775 0.586742 O\n0.410187 0.100775 0.913258 O\n0.093410 0.937518 0.929963 O\n0.801494 0.849922 0.000000 O\n0.001456 0.386843 0.077362 O\n",
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],
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"formula_full": "K20 Mn2 Mo14 O54",
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},
{
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"structure_string": "Zn2 W4 O12\n1.0\n5.347412 0.000000 0.000000\n0.000000 5.472090 0.000000\n0.000000 0.000000 7.670839\nZn W O\n2 4 12\ndirect\n0.501870 0.235089 0.500000 Zn\n0.001870 0.764911 0.000000 Zn\n0.502102 0.747598 0.749148 W\n0.002102 0.252402 0.750852 W\n0.002102 0.252402 0.249148 W\n0.502102 0.747598 0.250852 W\n0.678093 0.060287 0.305719 O\n0.178093 0.939713 0.194281 O\n0.799194 0.539436 0.700807 O\n0.299194 0.460564 0.799193 O\n0.299194 0.460564 0.200807 O\n0.799194 0.539436 0.299193 O\n0.178093 0.939713 0.805719 O\n0.678093 0.060287 0.694281 O\n0.135400 0.226159 0.500000 O\n0.635400 0.773841 0.000000 O\n0.406972 0.726187 0.500000 O\n0.906972 0.273813 0.000000 O\n",
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},
{
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{
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{
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"structure_string": "Mg1 Ni9 O13\n1.0\n2.957483 0.000617 0.000397\n-1.478074 4.826368 -0.772662\n-0.000389 0.056217 16.962914\nMg Ni O\n1 9 13\ndirect\n0.443634 0.885918 0.771969 Mg\n0.501617 0.002696 0.482233 Ni\n0.658027 0.316311 0.064698 Ni\n0.365155 0.730838 0.982058 Ni\n0.751482 0.502322 0.399112 Ni\n0.256529 0.512566 0.560323 Ni\n0.946685 0.892827 0.137159 Ni\n0.084605 0.169332 0.900916 Ni\n0.998862 0.998012 0.328012 Ni\n0.020377 0.040124 0.643392 Ni\n0.010491 0.019947 0.032985 O\n0.880494 0.760268 0.232004 O\n0.074671 0.148335 0.773978 O\n0.306975 0.615768 0.089867 O\n0.715732 0.433077 0.953518 O\n0.573966 0.145881 0.163447 O\n0.447204 0.893252 0.886137 O\n0.611316 0.222936 0.301883 O\n0.391765 0.782396 0.657831 O\n0.387446 0.774176 0.372675 O\n0.624614 0.248974 0.589920 O\n0.123062 0.245873 0.436405 O\n0.866956 0.733172 0.510315 O\n",
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{
"id": "mp-799417",
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{
"id": "mp-1216810",
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]
}