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{
"id": "mp-680728",
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"structure_string": "K6 Fe24 S26 Cl1\n1.0\n-4.977025 4.977025 9.907587\n4.977025 -4.977025 9.907587\n4.977025 4.977025 -9.907587\nK Fe S Cl\n6 24 26 1\ndirect\n0.299413 0.000000 0.299413 K\n0.153661 0.153661 0.000000 K\n0.000000 0.299413 0.299413 K\n0.700587 0.000000 0.700587 K\n0.846339 0.846339 0.000000 K\n0.000000 0.700587 0.700587 K\n0.697224 0.434918 0.000000 Fe\n0.053116 0.815553 0.501337 Fe\n0.551779 0.053116 0.237562 Fe\n0.302776 0.565082 0.000000 Fe\n0.314217 0.551779 0.498663 Fe\n0.184447 0.685783 0.237562 Fe\n0.946884 0.448221 0.762438 Fe\n0.448221 0.685783 0.501337 Fe\n0.551779 0.314217 0.498663 Fe\n0.314217 0.815553 0.762438 Fe\n0.053116 0.551779 0.237562 Fe\n0.685783 0.184447 0.237562 Fe\n0.815553 0.053116 0.501337 Fe\n0.434918 0.434918 0.737694 Fe\n0.815553 0.314217 0.762438 Fe\n0.565082 0.565082 0.262306 Fe\n0.434918 0.697224 0.000000 Fe\n0.697224 0.697224 0.262306 Fe\n0.565082 0.302776 0.000000 Fe\n0.946884 0.184447 0.498663 Fe\n0.685783 0.448221 0.501337 Fe\n0.302776 0.302776 0.737694 Fe\n0.184447 0.946884 0.498663 Fe\n0.448221 0.946884 0.762438 Fe\n0.504936 0.250927 0.254009 S\n0.624523 0.124523 0.500000 S\n0.117442 0.117442 0.466913 S\n0.003082 0.749073 0.254009 S\n0.349471 0.349471 0.466913 S\n0.996918 0.250927 0.745991 S\n0.749073 0.003082 0.254009 S\n0.250927 0.996918 0.745991 S\n0.495064 0.749073 0.745991 S\n0.650529 0.117442 0.000000 S\n0.375477 0.875477 0.500000 S\n0.376301 0.376301 0.000000 S\n0.875477 0.375477 0.500000 S\n0.124523 0.624523 0.500000 S\n0.650529 0.650529 0.533087 S\n0.500000 0.748295 0.248295 S\n0.251705 0.500000 0.751705 S\n0.623699 0.623699 0.000000 S\n0.882558 0.349471 0.000000 S\n0.117442 0.650529 0.000000 S\n0.749073 0.495064 0.745991 S\n0.250927 0.504936 0.254009 S\n0.748295 0.500000 0.248295 S\n0.882558 0.882558 0.533087 S\n0.500000 0.251705 0.751705 S\n0.349471 0.882558 0.000000 S\n0.000000 0.000000 0.000000 Cl\n",
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"elements": [
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],
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"volume": 981.6745464509609,
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"formula_full": "K6 Fe24 S26 Cl1",
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"spacegroup": 139
},
{
"id": "mp-17141",
"created_at": "2022-09-04T14:41:45.576266Z",
"structure_string": "Er6 Al4 Ni12\n1.0\n-4.428685 4.428685 4.428685\n4.428685 -4.428685 4.428685\n4.428685 4.428685 -4.428685\nEr Al Ni\n6 4 12\ndirect\n0.292506 0.292506 0.000000 Er\n0.707494 0.707494 0.000000 Er\n0.292506 0.000000 0.292506 Er\n0.707494 0.000000 0.707494 Er\n0.000000 0.707494 0.707494 Er\n0.000000 0.292506 0.292506 Er\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.664719 0.000000 0.335281 Ni\n0.335281 0.335281 0.670562 Ni\n0.670562 0.335281 0.335281 Ni\n0.000000 0.335281 0.664719 Ni\n0.000000 0.664719 0.335281 Ni\n0.335281 0.670562 0.335281 Ni\n0.664719 0.664719 0.329438 Ni\n0.664719 0.329438 0.664719 Ni\n0.329438 0.664719 0.664719 Ni\n0.664719 0.335281 0.000000 Ni\n0.335281 0.000000 0.664719 Ni\n0.335281 0.664719 0.000000 Ni\n",
"nsites": 22,
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"elements": [
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"formula_full": "Er6 Al4 Ni12",
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},
{
"id": "mp-1212723",
"created_at": "2022-09-04T14:41:45.578531Z",
"structure_string": "Mg4 S4 O44\n1.0\n4.649625 0.000000 0.000000\n0.000000 11.764549 0.000000\n0.000000 0.000000 15.836582\nMg S O\n4 4 44\ndirect\n0.690466 0.727384 0.604587 Mg\n0.309534 0.227384 0.895413 Mg\n0.809534 0.272616 0.104587 Mg\n0.190466 0.772616 0.395413 Mg\n0.395123 0.537226 0.490564 S\n0.604877 0.037226 0.009436 S\n0.104877 0.462774 0.990564 S\n0.895123 0.962774 0.509436 S\n0.672511 0.704931 0.301189 O\n0.327489 0.204931 0.198811 O\n0.827489 0.295069 0.801189 O\n0.172511 0.795069 0.698811 O\n0.675057 0.434348 0.204626 O\n0.324943 0.934348 0.295374 O\n0.824943 0.565652 0.704626 O\n0.175057 0.065652 0.795374 O\n0.241916 0.724631 0.632724 O\n0.758084 0.224631 0.867276 O\n0.258084 0.275369 0.132724 O\n0.741916 0.775369 0.367276 O\n0.452360 0.205840 0.655540 O\n0.547640 0.705840 0.844460 O\n0.047640 0.794160 0.155540 O\n0.952360 0.294160 0.344460 O\n0.240968 0.480492 0.560067 O\n0.759032 0.980492 0.939933 O\n0.259032 0.519508 0.060067 O\n0.740968 0.019508 0.439933 O\n0.201035 0.621679 0.447626 O\n0.798965 0.121679 0.052374 O\n0.298965 0.378321 0.947626 O\n0.701035 0.878321 0.552374 O\n0.392100 0.696334 0.290243 O\n0.607900 0.196334 0.209757 O\n0.107900 0.303666 0.790243 O\n0.892100 0.803666 0.709757 O\n0.644591 0.603755 0.524683 O\n0.355409 0.103755 0.975317 O\n0.855409 0.396245 0.024683 O\n0.144591 0.896245 0.475317 O\n0.553043 0.247960 0.591711 O\n0.446957 0.747960 0.908289 O\n0.946957 0.752040 0.091711 O\n0.053043 0.252040 0.408289 O\n0.656113 0.490137 0.725009 O\n0.343887 0.990137 0.774991 O\n0.843887 0.509863 0.225009 O\n0.156113 0.009863 0.274991 O\n0.489564 0.451262 0.429752 O\n0.510436 0.951262 0.070248 O\n0.010436 0.548738 0.929752 O\n0.989564 0.048738 0.570248 O\n",
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],
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"volume": 866.2727725897095,
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"formula_full": "Mg4 S4 O44",
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{
"id": "mp-637204",
"created_at": "2022-09-04T14:41:45.583517Z",
"structure_string": "Ce4 Cu20 Sn4\n1.0\n5.063225 0.000000 0.000000\n0.000000 8.324310 0.000000\n0.000000 0.000000 10.575840\nCe Cu Sn\n4 20 4\ndirect\n0.750000 0.254111 0.940922 Ce\n0.250000 0.745889 0.059078 Ce\n0.750000 0.754111 0.559078 Ce\n0.250000 0.245889 0.440922 Ce\n0.999983 0.569668 0.311364 Cu\n0.500017 0.569668 0.311364 Cu\n0.499983 0.430332 0.688636 Cu\n0.750000 0.819135 0.244382 Cu\n0.250000 0.180865 0.755618 Cu\n0.250000 0.437222 0.896913 Cu\n0.999983 0.069668 0.188636 Cu\n0.250000 0.082154 0.983501 Cu\n0.499983 0.930332 0.811364 Cu\n0.750000 0.062778 0.396913 Cu\n0.750000 0.917846 0.016499 Cu\n0.250000 0.582154 0.516499 Cu\n0.000017 0.430332 0.688636 Cu\n0.750000 0.319135 0.255618 Cu\n0.750000 0.417846 0.483501 Cu\n0.750000 0.562778 0.103087 Cu\n0.500017 0.069668 0.188636 Cu\n0.250000 0.937222 0.603087 Cu\n0.250000 0.680865 0.744382 Cu\n0.000017 0.930332 0.811364 Cu\n0.250000 0.860286 0.359492 Sn\n0.250000 0.360286 0.140508 Sn\n0.750000 0.139714 0.640508 Sn\n0.750000 0.639714 0.859492 Sn\n",
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{
"id": "mp-697821",
"created_at": "2022-09-04T14:41:45.587387Z",
"structure_string": "Sm12 Fe12 As12 O10 F2\n1.0\n12.017389 0.000000 0.000000\n0.000000 8.031729 0.000000\n0.000000 4.003798 9.087692\nSm Fe As O F\n12 12 12 10 2\ndirect\n0.082660 0.310781 0.128142 Sm\n0.417340 0.310781 0.128142 Sm\n0.750000 0.320813 0.131830 Sm\n0.073841 0.807443 0.135265 Sm\n0.426159 0.807443 0.135265 Sm\n0.750000 0.795133 0.136414 Sm\n0.250000 0.679187 0.868170 Sm\n0.582660 0.689219 0.871858 Sm\n0.917340 0.689219 0.871858 Sm\n0.250000 0.204867 0.863586 Sm\n0.573841 0.192557 0.864735 Sm\n0.926159 0.192557 0.864735 Sm\n0.083003 0.370721 0.499829 Fe\n0.416997 0.370721 0.499829 Fe\n0.750000 0.373630 0.503839 Fe\n0.250000 0.626370 0.496161 Fe\n0.583003 0.629279 0.500171 Fe\n0.916997 0.629279 0.500171 Fe\n0.083001 0.879082 0.497930 Fe\n0.416999 0.879082 0.497930 Fe\n0.750000 0.873682 0.503144 Fe\n0.250000 0.126318 0.496856 Fe\n0.583001 0.120918 0.502070 Fe\n0.916999 0.120918 0.502070 Fe\n0.250000 0.469016 0.313769 As\n0.584561 0.465887 0.317856 As\n0.915439 0.465887 0.317856 As\n0.084561 0.534113 0.682144 As\n0.415439 0.534113 0.682144 As\n0.750000 0.530984 0.686231 As\n0.250000 0.967226 0.313014 As\n0.585597 0.969798 0.313223 As\n0.914403 0.969798 0.313223 As\n0.085597 0.030202 0.686777 As\n0.414403 0.030202 0.686777 As\n0.750000 0.032774 0.686986 As\n0.250000 0.375131 0.999138 O\n0.584827 0.371508 0.998276 O\n0.915173 0.371508 0.998276 O\n0.084827 0.628492 0.001724 O\n0.415173 0.628492 0.001724 O\n0.750000 0.624869 0.000862 O\n0.586986 0.878982 0.001697 O\n0.913014 0.878982 0.001697 O\n0.086986 0.121018 0.998303 O\n0.413014 0.121018 0.998303 O\n0.250000 0.874480 0.000921 F\n0.750000 0.125520 0.999079 F\n",
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{
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{
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{
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{
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