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{
"id": "mp-1093892",
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"structure_string": "Ta1 In1 Os2\n1.0\n-4.866465 5.640925 7.728982\n4.866465 -5.640925 7.728982\n4.866465 5.640925 -7.728982\nTa In Os\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.000000 0.273489 0.273489 Os\n0.000000 0.726511 0.726511 Os\n",
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{
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{
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{
"id": "mp-28257",
"created_at": "2022-09-04T14:39:23.888296Z",
"structure_string": "S8 O8 F16\n1.0\n7.301630 0.000000 0.000000\n0.000000 5.437658 0.000000\n0.000000 1.899725 14.898571\nS O F\n8 8 16\ndirect\n0.778213 0.535011 0.648867 S\n0.278213 0.464989 0.851133 S\n0.221787 0.464989 0.351133 S\n0.721787 0.535011 0.148867 S\n0.840123 0.952682 0.863771 S\n0.340123 0.047318 0.636229 S\n0.159877 0.047318 0.136229 S\n0.659877 0.952682 0.363771 S\n0.025786 0.972775 0.832371 O\n0.801776 0.494866 0.744476 O\n0.301776 0.505134 0.755524 O\n0.198224 0.505134 0.255524 O\n0.698224 0.494866 0.244476 O\n0.525786 0.027225 0.667629 O\n0.974214 0.027225 0.167629 O\n0.474214 0.972775 0.332371 O\n0.590098 0.768563 0.113393 F\n0.090098 0.231437 0.386607 F\n0.409902 0.231437 0.886607 F\n0.911011 0.334857 0.608902 F\n0.909902 0.768563 0.613393 F\n0.588989 0.334857 0.108902 F\n0.088989 0.665143 0.391098 F\n0.411011 0.665143 0.891098 F\n0.675601 0.135519 0.441173 F\n0.175601 0.864481 0.058827 F\n0.324399 0.864481 0.558827 F\n0.824399 0.135519 0.941173 F\n0.666060 0.702180 0.436195 F\n0.166060 0.297820 0.063805 F\n0.333940 0.297820 0.563805 F\n0.833940 0.702180 0.936195 F\n",
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"formula_full": "S8 O8 F16",
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"spacegroup": 14
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{
"id": "mp-558690",
"created_at": "2022-09-04T14:39:10.656524Z",
"structure_string": "Zn2 B8 O14\n1.0\n3.274346 -5.456846 0.000000\n3.274346 5.456846 0.000000\n0.000000 0.000000 5.221128\nZn B O\n2 8 14\ndirect\n0.766103 0.766103 0.750000 Zn\n0.233897 0.233897 0.250000 Zn\n0.702429 0.297571 0.500000 B\n0.297571 0.702429 0.000000 B\n0.702429 0.297571 0.000000 B\n0.689564 0.924631 0.250000 B\n0.924631 0.689564 0.250000 B\n0.297571 0.702429 0.500000 B\n0.075369 0.310436 0.750000 B\n0.310436 0.075369 0.750000 B\n0.920341 0.920341 0.250000 O\n0.445806 0.189307 0.976941 O\n0.079659 0.079659 0.750000 O\n0.554194 0.810693 0.023059 O\n0.810693 0.554194 0.476941 O\n0.195503 0.754926 0.250000 O\n0.445806 0.189307 0.523059 O\n0.189307 0.445806 0.976941 O\n0.245074 0.804497 0.750000 O\n0.810693 0.554194 0.023059 O\n0.754926 0.195503 0.250000 O\n0.189307 0.445806 0.523059 O\n0.804497 0.245074 0.750000 O\n0.554194 0.810693 0.476941 O\n",
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"formula_full": "Zn2 B8 O14",
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{
"id": "mp-1208316",
"created_at": "2022-09-04T14:39:38.585290Z",
"structure_string": "Tb4 Ge4 Pd8\n1.0\n5.635185 0.000000 0.000000\n0.000000 7.119842 0.000000\n0.000000 0.000000 7.464782\nTb Ge Pd\n4 4 8\ndirect\n0.146423 0.750000 0.528385 Tb\n0.853577 0.250000 0.471615 Tb\n0.646423 0.250000 0.971615 Tb\n0.353577 0.750000 0.028385 Tb\n0.854750 0.750000 0.879162 Ge\n0.145250 0.250000 0.120838 Ge\n0.354750 0.250000 0.620838 Ge\n0.645250 0.750000 0.379162 Ge\n0.590210 0.551526 0.680349 Pd\n0.409790 0.448474 0.319651 Pd\n0.090210 0.448474 0.819651 Pd\n0.409790 0.051526 0.319651 Pd\n0.909790 0.551526 0.180349 Pd\n0.590210 0.948474 0.680349 Pd\n0.909790 0.948474 0.180349 Pd\n0.090210 0.051526 0.819651 Pd\n",
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"density": 9.85581865159397,
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"volume": 299.49919785169675,
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{
"id": "mp-1096734",
"created_at": "2022-09-04T14:39:26.925301Z",
"structure_string": "V2 Cr1 Mo1\n1.0\n-4.521957 4.972831 7.398111\n4.521957 -4.972831 7.398111\n4.521957 4.972831 -7.398111\nV Cr Mo\n2 1 1\ndirect\n0.284631 0.000000 0.284631 V\n0.715369 0.000000 0.715369 V\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Mo\n",
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{
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"structure_string": "Cu1 Rh2 Pb1\n1.0\n0.000000 3.166661 3.166661\n3.166661 0.000000 3.166661\n3.166661 3.166661 0.000000\nCu Rh Pb\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n0.750000 0.750000 0.750000 Pb\n",
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{
"id": "mp-776560",
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"structure_string": "Li6 Mn3 V3 P6 O24 F6\n1.0\n12.852420 2.453147 6.718852\n-0.732225 5.298493 0.055697\n-2.034457 -2.804792 6.564727\nLi Mn V P O F\n6 3 3 6 24 6\ndirect\n0.026830 0.401315 0.785978 Li\n0.307560 0.266696 0.880242 Li\n0.360154 0.067993 0.451485 Li\n0.638513 0.932561 0.549463 Li\n0.693607 0.733355 0.117589 Li\n0.972749 0.597959 0.215346 Li\n0.334478 0.667991 0.668083 Mn\n0.497930 0.998936 0.999979 Mn\n0.833656 0.666806 0.666895 Mn\n0.000898 0.999491 0.002571 V\n0.166795 0.331286 0.332520 V\n0.665833 0.333541 0.333485 V\n0.148106 0.972074 0.613587 P\n0.186002 0.692748 0.049758 P\n0.518784 0.361747 0.721218 P\n0.480526 0.637470 0.280333 P\n0.813990 0.304147 0.947714 P\n0.852853 0.029619 0.387817 P\n0.093078 0.064364 0.819464 O\n0.120670 0.702727 0.489636 O\n0.116916 0.199023 0.536774 O\n0.080024 0.699581 0.035337 O\n0.237744 0.596289 0.843952 O\n0.252478 0.972349 0.629972 O\n0.212260 0.962619 0.174159 O\n0.215190 0.467789 0.129054 O\n0.414276 0.361329 0.699871 O\n0.427183 0.734560 0.486078 O\n0.451631 0.869133 0.208051 O\n0.545902 0.632154 0.843434 O\n0.453438 0.368195 0.157852 O\n0.550205 0.132249 0.792498 O\n0.574248 0.274004 0.514489 O\n0.586385 0.630688 0.297442 O\n0.784145 0.534582 0.876699 O\n0.786989 0.036076 0.823947 O\n0.747836 0.034566 0.368157 O\n0.759379 0.394731 0.154621 O\n0.919452 0.299195 0.968203 O\n0.883563 0.797942 0.457076 O\n0.880900 0.297841 0.509537 O\n0.907642 0.938028 0.180518 O\n0.047474 0.286665 0.216961 F\n0.373164 0.968638 0.892151 F\n0.283302 0.363091 0.434308 F\n0.705302 0.614224 0.542920 F\n0.628305 0.053070 0.123126 F\n0.961655 0.718563 0.789649 F\n",
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"formula_full": "Li6 Mn3 V3 P6 O24 F6",
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{
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"elements": [
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],
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"density_atomic": 0.05503039415900682,
"volume": 1744.4905032410657,
"volume_molar": 10.94329933854264,
"formula_full": "Sn24 P12 N4 O56",
"formula_reduced": "Sn6P3NO14",
"formula_anonymous": "AB3C6D14",
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"updated_at": "2021-11-28T01:34:24.084000Z",
"spacegroup": 60
},
{
"id": "mp-1206320",
"created_at": "2022-09-04T14:39:28.560944Z",
"structure_string": "Rb2 Sc2 Cl6\n1.0\n3.734139 -6.467718 0.000000\n3.734139 6.467718 0.000000\n0.000000 0.000000 5.962865\nRb Sc Cl\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.164101 0.328203 0.250000 Cl\n0.835899 0.671797 0.750000 Cl\n0.671797 0.835899 0.250000 Cl\n0.328203 0.164101 0.750000 Cl\n0.164101 0.835899 0.250000 Cl\n0.835899 0.164101 0.750000 Cl\n",
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],
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"volume": 288.02257493712193,
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"formula_full": "Rb2 Sc2 Cl6",
"formula_reduced": "RbScCl3",
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"updated_at": "2021-11-28T01:34:24.084000Z",
"spacegroup": 194
},
{
"id": "mp-1206372",
"created_at": "2022-09-04T14:39:18.511827Z",
"structure_string": "La1 Mg2 Ag1\n1.0\n0.000000 3.639719 3.639719\n3.639719 0.000000 3.639719\n3.639719 3.639719 0.000000\nLa Mg Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Ag\n",
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}
]
}