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{
"id": "mp-1200568",
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{
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"spacegroup": 216
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{
"id": "mp-1194811",
"created_at": "2022-09-04T14:47:43.066118Z",
"structure_string": "U4 Ag8 P8 H8 C4 O32\n1.0\n-8.108905 0.000000 0.799052\n-0.091531 0.000000 -8.309424\n0.000000 -12.764558 0.000000\nU Ag P H C O\n4 8 8 8 4 32\ndirect\n0.688525 0.889404 0.835011 U\n0.188525 0.389404 0.664989 U\n0.311475 0.110596 0.164989 U\n0.811475 0.610596 0.335011 U\n0.839702 0.005581 0.566116 Ag\n0.339702 0.505581 0.933884 Ag\n0.160298 0.994419 0.433884 Ag\n0.660298 0.494419 0.066116 Ag\n0.539139 0.307066 0.485027 Ag\n0.039139 0.807066 0.014973 Ag\n0.460861 0.692934 0.514973 Ag\n0.960861 0.192934 0.985027 Ag\n0.833334 0.607528 0.625014 P\n0.333334 0.107528 0.874986 P\n0.166666 0.392472 0.374986 P\n0.666666 0.892472 0.125014 P\n0.872983 0.505709 0.844667 P\n0.372983 0.005709 0.655333 P\n0.127017 0.494291 0.155333 P\n0.627017 0.994291 0.344667 P\n0.759807 0.344951 0.702596 H\n0.259807 0.844951 0.797404 H\n0.240193 0.655049 0.297404 H\n0.740193 0.155049 0.202596 H\n0.621495 0.489402 0.741579 H\n0.121495 0.989402 0.758421 H\n0.378505 0.510598 0.258421 H\n0.878505 0.010598 0.241579 H\n0.750986 0.470942 0.726258 C\n0.250986 0.970942 0.773742 C\n0.249014 0.529058 0.273742 C\n0.749014 0.029058 0.226258 C\n0.858106 0.046724 0.817268 O\n0.358106 0.546724 0.682732 O\n0.141894 0.953276 0.182732 O\n0.641894 0.453276 0.317268 O\n0.524864 0.728857 0.861390 O\n0.024864 0.228857 0.638610 O\n0.475136 0.271143 0.138610 O\n0.975136 0.771143 0.361390 O\n0.809661 0.778322 0.667186 O\n0.309661 0.278322 0.832814 O\n0.190339 0.221678 0.332814 O\n0.690339 0.721678 0.167186 O\n0.015854 0.576193 0.610726 O\n0.515854 0.076193 0.889274 O\n0.984146 0.423807 0.389274 O\n0.484146 0.923807 0.110726 O\n0.737324 0.574259 0.520615 O\n0.237324 0.074259 0.979385 O\n0.262676 0.425741 0.479385 O\n0.762676 0.925741 0.020615 O\n0.049804 0.466690 0.816097 O\n0.549804 0.966690 0.683903 O\n0.950196 0.533310 0.183903 O\n0.450196 0.033310 0.316097 O\n0.799037 0.394937 0.932069 O\n0.299037 0.894937 0.567931 O\n0.200963 0.605063 0.067931 O\n0.700963 0.105063 0.432069 O\n0.869487 0.687481 0.873927 O\n0.369487 0.187480 0.626073 O\n0.130513 0.312520 0.126073 O\n0.630513 0.812519 0.373927 O\n",
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"formula_full": "U4 Ag8 P8 H8 C4 O32",
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"updated_at": "2021-11-28T01:38:20.821000Z",
"spacegroup": 14
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{
"id": "mp-1104121",
"created_at": "2022-09-04T14:47:55.801671Z",
"structure_string": "Li4 La4 Si6\n1.0\n2.254007 -9.400729 0.000000\n2.254007 9.400729 0.000000\n0.000000 0.000000 6.913192\nLi La Si\n4 4 6\ndirect\n0.812691 0.187309 0.439079 Li\n0.187309 0.812691 0.560921 Li\n0.812691 0.187309 0.060921 Li\n0.187309 0.812691 0.939079 Li\n0.552401 0.447599 0.750000 La\n0.447599 0.552401 0.250000 La\n0.340370 0.659630 0.750000 La\n0.659630 0.340370 0.250000 La\n0.943067 0.056933 0.923627 Si\n0.056933 0.943067 0.076373 Si\n0.943067 0.056933 0.576373 Si\n0.056933 0.943067 0.423627 Si\n0.719764 0.280236 0.750000 Si\n0.280236 0.719764 0.250000 Si\n",
"nsites": 14,
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"elements": [
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"La",
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"density": 4.26170248082288,
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"volume": 292.97152252911496,
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"formula_full": "Li4 La4 Si6",
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{
"id": "mp-1192140",
"created_at": "2022-09-04T14:47:55.971279Z",
"structure_string": "Gd6 Si4 Ni12\n1.0\n-4.414261 4.414261 4.414261\n4.414261 -4.414261 4.414261\n4.414261 4.414261 -4.414261\nGd Si Ni\n6 4 12\ndirect\n0.715575 0.715575 0.000000 Gd\n0.284425 0.000000 0.284425 Gd\n0.000000 0.284425 0.284425 Gd\n0.284425 0.284425 0.000000 Gd\n0.715575 0.000000 0.715575 Gd\n0.000000 0.715575 0.715575 Gd\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.330920 0.330920 0.661840 Ni\n0.669080 0.000000 0.330920 Ni\n0.000000 0.669080 0.330920 Ni\n0.669080 0.330920 0.000000 Ni\n0.330920 0.661840 0.330920 Ni\n0.000000 0.330920 0.669080 Ni\n0.330920 0.669080 0.000000 Ni\n0.330920 0.000000 0.669080 Ni\n0.661840 0.330920 0.330920 Ni\n0.669080 0.669080 0.338160 Ni\n0.669080 0.338160 0.669080 Ni\n0.338160 0.669080 0.669080 Ni\n",
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{
"id": "mp-1106270",
"created_at": "2022-09-04T14:47:46.422981Z",
"structure_string": "Ba1 Pd1 I4 O12\n1.0\n6.001932 0.002643 -0.461386\n-3.083400 6.559677 -1.987426\n-0.026447 -0.030839 8.180806\nBa Pd I O\n1 1 4 12\ndirect\n0.025477 0.743793 0.754362 Ba\n0.256013 0.741590 0.226100 Pd\n0.330732 0.384662 0.924724 I\n0.332403 0.441996 0.443458 I\n0.635242 0.088115 0.601279 I\n0.712038 0.047064 0.093123 I\n0.142796 0.533690 0.986715 O\n0.449732 0.389708 0.138227 O\n0.058236 0.138647 0.845250 O\n0.116651 0.528971 0.344701 O\n0.200603 0.450261 0.639201 O\n0.609595 0.683086 0.526517 O\n0.322504 0.954505 0.456757 O\n0.657394 0.344681 0.632380 O\n0.506557 0.050709 0.792911 O\n0.375504 0.953016 0.102865 O\n0.841978 0.085940 0.316190 O\n0.720665 0.806237 0.979289 O\n",
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{
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"structure_string": "Cs4 Tb4 Si4 S16\n1.0\n6.397462 0.000000 0.000000\n0.000000 6.742069 0.000000\n0.000000 0.000000 17.842040\nCs Tb Si S\n4 4 4 16\ndirect\n0.502568 0.492657 0.967886 Cs\n0.997432 0.507343 0.467886 Cs\n0.002568 0.007343 0.032114 Cs\n0.497432 0.992657 0.532114 Cs\n0.292505 0.482031 0.228233 Tb\n0.207495 0.517969 0.728233 Tb\n0.792505 0.017969 0.771767 Tb\n0.707495 0.982031 0.271767 Tb\n0.789890 0.516496 0.166763 Si\n0.710110 0.483504 0.666763 Si\n0.289890 0.983504 0.833237 Si\n0.210110 0.016496 0.333237 Si\n0.054261 0.512144 0.095753 S\n0.445739 0.487856 0.595753 S\n0.554261 0.987856 0.904247 S\n0.945739 0.012144 0.404247 S\n0.610375 0.430323 0.779398 S\n0.889625 0.569677 0.279398 S\n0.110375 0.069677 0.220602 S\n0.389625 0.930323 0.720602 S\n0.569894 0.749682 0.146566 S\n0.930106 0.250318 0.646566 S\n0.069894 0.750318 0.853434 S\n0.430106 0.249682 0.353434 S\n0.603147 0.253999 0.154690 S\n0.896853 0.746001 0.654690 S\n0.103147 0.246001 0.845310 S\n0.396853 0.753999 0.345310 S\n",
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{
"id": "mp-1196072",
"created_at": "2022-09-04T14:47:46.429085Z",
"structure_string": "K12 Sc4 Cl24\n1.0\n0.000000 -7.675075 0.000000\n-11.926220 0.000000 4.292870\n0.035217 0.000000 -13.024744\nK Sc Cl\n12 4 24\ndirect\n0.505447 0.370189 0.604063 K\n0.005447 0.129811 0.395937 K\n0.494553 0.629811 0.395937 K\n0.994553 0.870189 0.604063 K\n0.556271 0.120953 0.821913 K\n0.056271 0.379047 0.178087 K\n0.443729 0.879047 0.178087 K\n0.943729 0.620953 0.821913 K\n0.057417 0.271896 0.809891 K\n0.557417 0.228104 0.190109 K\n0.942583 0.728104 0.190109 K\n0.442583 0.771896 0.809891 K\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.693986 0.385086 0.847652 Cl\n0.193986 0.114914 0.152348 Cl\n0.306014 0.614914 0.152348 Cl\n0.806014 0.885086 0.847652 Cl\n0.775014 0.092418 0.601601 Cl\n0.275014 0.407582 0.398399 Cl\n0.224986 0.907582 0.398399 Cl\n0.724986 0.592418 0.601601 Cl\n0.318077 0.153395 0.627085 Cl\n0.818077 0.346605 0.372915 Cl\n0.681923 0.846605 0.372915 Cl\n0.181923 0.653395 0.627085 Cl\n0.362219 0.322003 0.009026 Cl\n0.862219 0.177997 0.990974 Cl\n0.637781 0.677997 0.990974 Cl\n0.137781 0.822003 0.009026 Cl\n0.286275 0.500880 0.856498 Cl\n0.786275 0.999120 0.143502 Cl\n0.713725 0.499120 0.143502 Cl\n0.213725 0.000880 0.856498 Cl\n0.023831 0.387189 0.620042 Cl\n0.523831 0.112811 0.379958 Cl\n0.976169 0.612811 0.379958 Cl\n0.476169 0.887189 0.620042 Cl\n",
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{
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{
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}