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{
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{
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{
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"structure_string": "Li3 Ni4 O8\n1.0\n2.680443 4.930459 0.000210\n-5.816963 -0.031108 -0.024469\n2.856154 -1.552757 4.805909\nLi Ni O\n3 4 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000001 0.999999 Ni\n0.500000 0.000001 0.999999 Ni\n0.999999 0.499998 0.000000 Ni\n0.500001 0.500000 0.000001 Ni\n0.247449 0.994889 0.778603 O\n0.752551 0.005111 0.221397 O\n0.776699 0.053446 0.794262 O\n0.223302 0.946554 0.205738 O\n0.244667 0.498343 0.780279 O\n0.246309 0.501624 0.219704 O\n0.753690 0.498376 0.780296 O\n0.755333 0.501657 0.219720 O\n",
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{
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"structure_string": "H40 C16 N8 O24\n1.0\n1.868454 14.428725 0.000000\n-1.868454 14.428725 0.000000\n0.000000 1.470709 16.218253\nH C N O\n40 16 8 24\ndirect\n0.714726 0.506866 0.508758 H\n0.493134 0.285274 0.991242 H\n0.285274 0.493134 0.491242 H\n0.506866 0.714726 0.008758 H\n0.211408 0.859149 0.465473 H\n0.140851 0.788592 0.034527 H\n0.788592 0.140851 0.534527 H\n0.859149 0.211408 0.965473 H\n0.375557 0.954859 0.378991 H\n0.045141 0.624443 0.121009 H\n0.624443 0.045141 0.621009 H\n0.954859 0.375557 0.878991 H\n0.714211 0.812059 0.563731 H\n0.187941 0.285789 0.936269 H\n0.285789 0.187941 0.436269 H\n0.812059 0.714211 0.063731 H\n0.009054 0.422055 0.715082 H\n0.577945 0.990946 0.784918 H\n0.990946 0.577945 0.284918 H\n0.422055 0.009054 0.215082 H\n0.927150 0.466457 0.615242 H\n0.533544 0.072850 0.884758 H\n0.072850 0.533544 0.384758 H\n0.466456 0.927150 0.115242 H\n0.133054 0.591527 0.730577 H\n0.408473 0.866946 0.769423 H\n0.866946 0.408473 0.269423 H\n0.591527 0.133054 0.230577 H\n0.943956 0.878951 0.868394 H\n0.121049 0.056044 0.631606 H\n0.056044 0.121049 0.131606 H\n0.878951 0.943956 0.368394 H\n0.289876 0.670973 0.321700 H\n0.329027 0.710124 0.178300 H\n0.710124 0.329027 0.678300 H\n0.670973 0.289876 0.821700 H\n0.448208 0.652863 0.369996 H\n0.347137 0.551792 0.130004 H\n0.551792 0.347137 0.630004 H\n0.652863 0.448208 0.869996 H\n0.636383 0.649666 0.476897 C\n0.350334 0.363617 0.023103 C\n0.363617 0.350334 0.523103 C\n0.649666 0.636383 0.976897 C\n0.791666 0.729258 0.628923 C\n0.270742 0.208334 0.871077 C\n0.208334 0.270742 0.371077 C\n0.729258 0.791666 0.128923 C\n0.128519 0.657380 0.766057 C\n0.342620 0.871481 0.733943 C\n0.871481 0.342620 0.233943 C\n0.657380 0.128519 0.266057 C\n0.187015 0.783658 0.383206 C\n0.216342 0.812985 0.116794 C\n0.812985 0.216342 0.616794 C\n0.783658 0.187015 0.883206 C\n0.927345 0.516711 0.655277 N\n0.483289 0.072655 0.844723 N\n0.072655 0.483289 0.344723 N\n0.516711 0.927345 0.155277 N\n0.298190 0.754431 0.409881 N\n0.245569 0.701810 0.090119 N\n0.701810 0.245569 0.590119 N\n0.754431 0.298190 0.909881 N\n0.721750 0.641096 0.502141 O\n0.358904 0.278250 0.997859 O\n0.278250 0.358904 0.497859 O\n0.641096 0.721750 0.002141 O\n0.446164 0.823158 0.409922 O\n0.176842 0.553836 0.090078 O\n0.553836 0.176842 0.590078 O\n0.823158 0.446164 0.909922 O\n0.748361 0.838481 0.672457 O\n0.161519 0.251639 0.827543 O\n0.251639 0.161519 0.327543 O\n0.838481 0.748361 0.172457 O\n0.270139 0.593734 0.740439 O\n0.406266 0.729861 0.759561 O\n0.729861 0.406266 0.259561 O\n0.593734 0.270139 0.240439 O\n0.951618 0.812368 0.837060 O\n0.187632 0.048382 0.662940 O\n0.048382 0.187632 0.162940 O\n0.812368 0.951618 0.337060 O\n0.981063 0.924603 0.423014 O\n0.075397 0.018937 0.076986 O\n0.018937 0.075397 0.576986 O\n0.924603 0.981063 0.923014 O\n",
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{
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"structure_string": "Li8 Co6 O14\n1.0\n1.473871 14.453799 0.000000\n-1.473871 14.453799 0.000000\n0.000000 0.660441 5.880218\nLi Co O\n8 6 14\ndirect\n0.500000 0.500000 0.500000 Li\n0.358578 0.358578 0.071953 Li\n0.214905 0.214905 0.641986 Li\n0.929958 0.929958 0.789269 Li\n0.785095 0.785095 0.358014 Li\n0.641422 0.641422 0.928047 Li\n0.070042 0.070042 0.210731 Li\n0.500000 0.500000 0.000000 Li\n0.067508 0.067508 0.724878 Co\n0.932492 0.932492 0.275122 Co\n0.785994 0.785994 0.854219 Co\n0.640357 0.640357 0.427102 Co\n0.359643 0.359643 0.572898 Co\n0.214006 0.214006 0.145781 Co\n0.571639 0.571639 0.476300 O\n0.428759 0.428759 0.053103 O\n0.287599 0.287599 0.619184 O\n0.007499 0.007499 0.746256 O\n0.864163 0.864163 0.334337 O\n0.715240 0.715240 0.909241 O\n0.144054 0.144054 0.199127 O\n0.428361 0.428361 0.523700 O\n0.284760 0.284760 0.090759 O\n0.135837 0.135837 0.665663 O\n0.855946 0.855946 0.800873 O\n0.712401 0.712401 0.380816 O\n0.571241 0.571241 0.946897 O\n0.992501 0.992501 0.253744 O\n",
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{
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{
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{
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{
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"formula_full": "Sr32 Mo8 N32 O8",
"formula_reduced": "Sr4MoN4O",
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"updated_at": "2021-11-28T01:36:15.682000Z",
"spacegroup": 11
},
{
"id": "mp-1207958",
"created_at": "2022-09-04T14:43:21.548770Z",
"structure_string": "Tm4 Zn4 Sn4\n1.0\n2.257104 -3.909418 0.000000\n2.257104 3.909418 0.000000\n0.000000 0.000000 15.322100\nTm Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.159331 Zn\n0.666667 0.333333 0.840669 Zn\n0.666667 0.333333 0.659331 Zn\n0.333333 0.666667 0.340669 Zn\n0.333333 0.666667 0.610819 Sn\n0.666667 0.333333 0.389181 Sn\n0.666667 0.333333 0.110819 Sn\n0.333333 0.666667 0.889181 Sn\n",
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"density": 8.67235977803373,
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"volume": 270.4032871322851,
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"formula_full": "Tm4 Zn4 Sn4",
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},
{
"id": "mp-1208992",
"created_at": "2022-09-04T14:43:21.354160Z",
"structure_string": "Sm12 Si12 Pd12\n1.0\n4.407584 0.000000 0.000000\n0.000000 7.503249 0.000000\n0.000000 0.000000 21.528701\nSm Si Pd\n12 12 12\ndirect\n0.250000 0.706101 0.332856 Sm\n0.750000 0.293899 0.667144 Sm\n0.750000 0.206101 0.167144 Sm\n0.250000 0.793899 0.832856 Sm\n0.250000 0.792933 0.166335 Sm\n0.750000 0.207067 0.833665 Sm\n0.750000 0.292933 0.333665 Sm\n0.250000 0.707067 0.666335 Sm\n0.250000 0.713162 0.001870 Sm\n0.750000 0.286838 0.998130 Sm\n0.750000 0.213162 0.498130 Sm\n0.250000 0.786838 0.501870 Sm\n0.250000 0.088818 0.070932 Si\n0.750000 0.911182 0.929068 Si\n0.750000 0.588818 0.429068 Si\n0.250000 0.411182 0.570932 Si\n0.250000 0.083625 0.272096 Si\n0.750000 0.916375 0.727904 Si\n0.750000 0.583625 0.227904 Si\n0.250000 0.416375 0.772096 Si\n0.250000 0.084166 0.394538 Si\n0.750000 0.915834 0.605462 Si\n0.750000 0.584166 0.105462 Si\n0.250000 0.415834 0.894538 Si\n0.250000 0.416697 0.237240 Pd\n0.750000 0.583303 0.762760 Pd\n0.750000 0.916697 0.262760 Pd\n0.250000 0.083303 0.737240 Pd\n0.250000 0.416930 0.436081 Pd\n0.750000 0.583070 0.563919 Pd\n0.750000 0.916930 0.063919 Pd\n0.250000 0.083070 0.936081 Pd\n0.250000 0.419991 0.093594 Pd\n0.750000 0.580009 0.906406 Pd\n0.750000 0.919991 0.406406 Pd\n0.250000 0.080009 0.593594 Pd\n",
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]
}