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{
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{
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"structure_string": "Lu1 Ga6 Fe6\n1.0\n-5.035074 0.000000 0.000000\n-2.517537 -4.248296 4.327386\n-2.517537 4.248296 4.327386\nLu Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.667396 0.332604 Ga\n0.000000 0.332604 0.667396 Ga\n0.342567 0.657433 0.657433 Ga\n0.657433 0.342567 0.342567 Ga\n0.322111 0.177889 0.177889 Ga\n0.677889 0.822111 0.822111 Ga\n0.500000 0.243213 0.756787 Fe\n0.500000 0.756787 0.243213 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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"formula_full": "Lu1 Ga6 Fe6",
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"updated_at": "2021-11-28T01:36:46.757000Z",
"spacegroup": 71
},
{
"id": "mp-1211539",
"created_at": "2022-09-04T14:44:31.447466Z",
"structure_string": "K4 Ru4 O8\n1.0\n-3.181639 3.181639 6.314806\n3.181639 -3.181639 6.314806\n3.181639 3.181639 -6.314806\nK Ru O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 K\n0.375000 0.625000 0.750000 K\n0.375000 0.625000 0.250000 K\n0.375000 0.125000 0.750000 K\n0.375000 0.125000 0.250000 Ru\n0.875000 0.125000 0.750000 Ru\n0.875000 0.125000 0.250000 Ru\n0.875000 0.625000 0.750000 Ru\n0.151097 0.336853 0.185755 O\n0.151097 0.965342 0.814245 O\n0.086853 0.401097 0.685755 O\n0.598903 0.913147 0.314245 O\n0.715342 0.401097 0.314245 O\n0.598903 0.284658 0.685755 O\n0.663147 0.848903 0.814245 O\n0.034658 0.848903 0.185755 O\n",
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"formula_full": "K4 Ru4 O8",
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},
{
"id": "mp-1185168",
"created_at": "2022-09-04T14:44:40.958079Z",
"structure_string": "K2 Rb6\n1.0\n5.042309 -8.733535 0.000000\n5.042309 8.733535 0.000000\n0.000000 0.000000 7.918306\nK Rb\n2 6\ndirect\n0.666667 0.333333 0.250000 K\n0.333333 0.666667 0.750000 K\n0.830993 0.169007 0.750000 Rb\n0.338014 0.169007 0.750000 Rb\n0.830993 0.661986 0.750000 Rb\n0.169007 0.830993 0.250000 Rb\n0.661986 0.830993 0.250000 Rb\n0.169007 0.338014 0.250000 Rb\n",
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"density": 1.4072047061488027,
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"formula_full": "K2 Rb6",
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{
"id": "mp-1206438",
"created_at": "2022-09-04T14:44:41.069634Z",
"structure_string": "Rb2 Cu1 F6\n1.0\n0.000000 4.317295 4.317295\n4.317295 0.000000 4.317295\n4.317295 4.317295 0.000000\nRb Cu F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Cu\n0.784666 0.215334 0.215334 F\n0.215334 0.784666 0.784666 F\n0.215334 0.784666 0.215334 F\n0.784666 0.215334 0.784666 F\n0.215334 0.215334 0.784666 F\n0.784666 0.784666 0.215334 F\n",
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"formula_full": "Rb2 Cu1 F6",
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"spacegroup": 225
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{
"id": "mp-1333536",
"created_at": "2022-09-04T14:44:41.078766Z",
"structure_string": "Mg12 Ge12 Bi8 O48\n1.0\n-6.397751 6.397751 6.397751\n6.397751 -6.397751 6.397751\n6.397751 6.397751 -6.397751\nMg Ge Bi O\n12 12 8 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.404858 0.801303 0.769349 O\n0.864491 0.396444 0.095142 O\n0.103556 0.968046 0.698697 O\n0.531954 0.635509 0.730651 O\n0.698697 0.095142 0.730651 O\n0.635509 0.730651 0.531954 O\n0.635509 0.404858 0.103556 O\n0.730651 0.531954 0.635509 O\n0.801303 0.531954 0.396444 O\n0.968046 0.769349 0.864491 O\n0.769349 0.864491 0.968046 O\n0.730651 0.698697 0.095142 O\n0.404858 0.103556 0.635509 O\n0.396444 0.801303 0.531954 O\n0.095142 0.730651 0.698697 O\n0.103556 0.635509 0.404858 O\n0.531954 0.396444 0.801303 O\n0.095142 0.864491 0.396444 O\n0.968046 0.698697 0.103556 O\n0.198697 0.468046 0.603556 O\n0.698697 0.103556 0.968046 O\n0.769349 0.404858 0.801303 O\n0.396444 0.095142 0.864491 O\n0.864491 0.968046 0.769349 O\n0.595142 0.198697 0.230651 O\n0.135509 0.603556 0.904858 O\n0.896444 0.031954 0.301303 O\n0.468046 0.364491 0.269349 O\n0.301303 0.904858 0.269349 O\n0.364491 0.269349 0.468046 O\n0.364491 0.595142 0.896444 O\n0.269349 0.468046 0.364491 O\n0.135509 0.031954 0.230651 O\n0.603556 0.904858 0.135509 O\n0.230651 0.595142 0.198697 O\n0.198697 0.230651 0.595142 O\n0.301303 0.896444 0.031954 O\n0.031954 0.301303 0.896444 O\n0.904858 0.135509 0.603556 O\n0.468046 0.603556 0.198697 O\n0.896444 0.364491 0.595142 O\n0.904858 0.269349 0.301303 O\n0.603556 0.198697 0.468046 O\n0.595142 0.896444 0.364491 O\n0.269349 0.301303 0.904858 O\n0.230651 0.135509 0.031954 O\n0.031954 0.230651 0.135509 O\n0.801303 0.769349 0.404858 O\n",
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{
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"structure_string": "Te2 C8 S8 N16 Cl4 O4\n1.0\n14.461002 0.000000 0.000000\n0.000000 7.920500 0.000000\n0.000000 4.343651 11.321424\nTe C S N Cl O\n2 8 8 16 4 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.211877 0.954797 0.126033 C\n0.711877 0.045203 0.373967 C\n0.788123 0.045203 0.873967 C\n0.288123 0.954797 0.626033 C\n0.057487 0.195888 0.372873 C\n0.557487 0.804112 0.127127 C\n0.942513 0.804112 0.627127 C\n0.442513 0.195888 0.872873 C\n0.171951 0.856321 0.037003 S\n0.671951 0.143679 0.462997 S\n0.828049 0.143679 0.962997 S\n0.328049 0.856321 0.537003 S\n0.990547 0.715258 0.196450 S\n0.490547 0.284742 0.303550 S\n0.009453 0.284742 0.803550 S\n0.509453 0.715258 0.696450 S\n0.184474 0.303894 0.065829 N\n0.684474 0.696106 0.434171 N\n0.815526 0.696106 0.934171 N\n0.315526 0.303894 0.565829 N\n0.240278 0.029299 0.188420 N\n0.740278 0.970701 0.311580 N\n0.759722 0.970701 0.811580 N\n0.259722 0.029299 0.688420 N\n0.115005 0.104243 0.444394 N\n0.615005 0.895757 0.055606 N\n0.884995 0.895757 0.555606 N\n0.384995 0.104243 0.944394 N\n0.999332 0.286844 0.301029 N\n0.499332 0.713156 0.198971 N\n0.000668 0.713156 0.698971 N\n0.500668 0.286844 0.801029 N\n0.356905 0.348078 0.263385 Cl\n0.856905 0.651922 0.236615 Cl\n0.643095 0.651922 0.736615 Cl\n0.143095 0.348078 0.763385 Cl\n0.259476 0.384564 0.501892 O\n0.759476 0.615436 0.998108 O\n0.740524 0.615436 0.498108 O\n0.240524 0.384564 0.001892 O\n",
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{
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"elements": [
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],
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"formula_full": "B40 H48 Br8",
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"updated_at": "2021-11-28T01:36:42.052000Z",
"spacegroup": 14
},
{
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"structure_string": "K1 Fe2 Te2\n1.0\n-1.939722 1.939722 8.184880\n1.939722 -1.939722 8.184880\n1.939722 1.939722 -8.184880\nK Fe Te\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.640309 0.640309 0.000000 Te\n0.359691 0.359691 0.000000 Te\n",
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{
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{
"id": "mp-672371",
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"structure_string": "Ni6 Sb2\n1.0\n4.257903 0.000000 0.000000\n0.000000 4.531967 0.000000\n0.000000 0.000000 5.326464\nNi Sb\n6 2\ndirect\n0.500000 0.170029 0.750113 Ni\n0.500000 0.170029 0.249887 Ni\n0.000000 0.829971 0.749887 Ni\n0.000000 0.829971 0.250113 Ni\n0.000000 0.319516 0.500000 Ni\n0.500000 0.680484 0.000000 Ni\n0.500000 0.677632 0.500000 Sb\n0.000000 0.322368 0.000000 Sb\n",
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{
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"structure_string": "Li4 Fe6 F16\n1.0\n8.539204 0.000000 0.000000\n0.000000 5.803104 0.000000\n0.000000 4.623785 7.928573\nLi Fe F\n4 6 16\ndirect\n0.303344 0.878287 0.189234 Li\n0.803344 0.121713 0.310766 Li\n0.196656 0.878287 0.689234 Li\n0.696656 0.121713 0.810766 Li\n0.000000 0.500000 0.500000 Fe\n0.353122 0.511795 0.604470 Fe\n0.853122 0.488205 0.895530 Fe\n0.500000 0.500000 0.000000 Fe\n0.146878 0.511795 0.104470 Fe\n0.646878 0.488205 0.395530 Fe\n0.894178 0.351713 0.737123 F\n0.446717 0.708235 0.364541 F\n0.651862 0.249854 0.960958 F\n0.800194 0.752710 0.394001 F\n0.151862 0.750146 0.539042 F\n0.394178 0.648287 0.762877 F\n0.300194 0.247290 0.105999 F\n0.946717 0.291765 0.135459 F\n0.053283 0.708235 0.864541 F\n0.699806 0.752710 0.894001 F\n0.605822 0.351713 0.237123 F\n0.848138 0.249854 0.460958 F\n0.199806 0.247290 0.605999 F\n0.348138 0.750146 0.039042 F\n0.553283 0.291765 0.635459 F\n0.105822 0.648287 0.262877 F\n",
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]
}