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{
"id": "mp-1219627",
"created_at": "2022-09-04T14:39:24.286110Z",
"structure_string": "Rb1 As4 H3 O12\n1.0\n5.193526 0.002459 0.890834\n0.103208 6.451964 3.305883\n-0.081507 0.034099 8.060790\nRb As H O\n1 4 3 12\ndirect\n0.003089 0.994507 0.001308 Rb\n0.845157 0.688082 0.678831 As\n0.147509 0.324340 0.310653 As\n0.399937 0.880411 0.433912 As\n0.596926 0.125881 0.562597 As\n0.490722 0.657705 0.299880 H\n0.508440 0.342676 0.702539 H\n0.976864 0.499876 0.979608 H\n0.886988 0.468533 0.884703 O\n0.091364 0.534321 0.110017 O\n0.780110 0.892125 0.736114 O\n0.220226 0.110625 0.264114 O\n0.584652 0.631839 0.603803 O\n0.413829 0.368425 0.392438 O\n0.313893 0.961665 0.621949 O\n0.690103 0.034726 0.380354 O\n0.112444 0.710009 0.512825 O\n0.888689 0.287147 0.489646 O\n0.495766 0.811142 0.245589 O\n0.500293 0.189966 0.754119 O\n",
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"updated_at": "2021-11-28T01:34:44.532000Z",
"spacegroup": 1
},
{
"id": "mp-1378888",
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"structure_string": "Rb1 As4 H3 O12\n1.0\n5.269374 0.000000 0.000000\n-0.663621 7.219901 0.000000\n-0.618809 -3.617556 7.096663\nRb As H O\n1 4 3 12\ndirect\n0.003089 0.005493 0.998692 Rb\n0.845157 0.311918 0.321169 As\n0.147509 0.675660 0.689347 As\n0.399937 0.119589 0.566088 As\n0.596926 0.874119 0.437403 As\n0.490722 0.342295 0.700120 H\n0.508440 0.657324 0.297461 H\n0.976864 0.500124 0.020392 H\n0.886988 0.531467 0.115297 O\n0.091364 0.465679 0.889983 O\n0.780110 0.107875 0.263886 O\n0.220226 0.889375 0.735886 O\n0.584652 0.368161 0.396197 O\n0.413829 0.631575 0.607562 O\n0.313893 0.038335 0.378051 O\n0.690103 0.965274 0.619646 O\n0.112444 0.289991 0.487175 O\n0.888689 0.712853 0.510354 O\n0.495766 0.188858 0.754411 O\n0.500293 0.810034 0.245881 O\n",
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"formula_full": "Rb1 As4 H3 O12",
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"updated_at": "2021-11-28T01:35:54.446000Z",
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{
"id": "mp-1196814",
"created_at": "2022-09-04T14:47:58.258972Z",
"structure_string": "Rb8 As4 H20 O24\n1.0\n6.793170 0.000000 -3.956887\n-6.677757 0.000000 -4.317196\n0.000000 13.823129 0.000000\nRb As H O\n8 4 20 24\ndirect\n0.494679 0.751925 0.763126 Rb\n0.005321 0.748075 0.263126 Rb\n0.505321 0.248075 0.236874 Rb\n0.994679 0.251925 0.736874 Rb\n0.006262 0.754408 0.583305 Rb\n0.493738 0.745592 0.083305 Rb\n0.993738 0.245592 0.416695 Rb\n0.506262 0.254408 0.916695 Rb\n0.495103 0.237996 0.639946 As\n0.004897 0.262004 0.139946 As\n0.504897 0.762004 0.360054 As\n0.995103 0.737996 0.860054 As\n0.715058 0.051448 0.589782 H\n0.784942 0.448552 0.089782 H\n0.284942 0.948552 0.410218 H\n0.215058 0.551448 0.910218 H\n0.792248 0.122850 0.964868 H\n0.707752 0.377150 0.464868 H\n0.207752 0.877150 0.035132 H\n0.292248 0.622850 0.535132 H\n0.711070 0.872731 0.536895 H\n0.788930 0.627269 0.036895 H\n0.288930 0.127269 0.463105 H\n0.211070 0.372731 0.963105 H\n0.787680 0.943064 0.911320 H\n0.712320 0.556936 0.411320 H\n0.212320 0.056936 0.088680 H\n0.287680 0.443064 0.588680 H\n0.718062 0.492437 0.734690 H\n0.781938 0.007563 0.234690 H\n0.281938 0.507563 0.265310 H\n0.218062 0.992437 0.765310 H\n0.582160 0.453142 0.707409 O\n0.917840 0.046858 0.207409 O\n0.417840 0.546858 0.292591 O\n0.082160 0.953142 0.792591 O\n0.682556 0.246760 0.573288 O\n0.817444 0.253240 0.073288 O\n0.317444 0.753240 0.426712 O\n0.182556 0.746760 0.926712 O\n0.419612 0.059088 0.723310 O\n0.080388 0.440912 0.223310 O\n0.580388 0.940912 0.276690 O\n0.919612 0.559088 0.776690 O\n0.308274 0.234024 0.574877 O\n0.191726 0.265976 0.074877 O\n0.691726 0.765976 0.425123 O\n0.808274 0.734024 0.925123 O\n0.753920 0.948274 0.597997 O\n0.746080 0.551726 0.097997 O\n0.246080 0.051726 0.402003 O\n0.253920 0.448274 0.902003 O\n0.746798 0.044592 0.904871 O\n0.753202 0.455408 0.404871 O\n0.253202 0.955408 0.095129 O\n0.246798 0.544592 0.595129 O\n",
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],
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"density_atomic": 0.07266617587223294,
"volume": 770.6474068273986,
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"formula_full": "Rb8 As4 H20 O24",
"formula_reduced": "Rb2AsH5O6",
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"energy": -304.7080961,
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"updated_at": "2021-11-28T01:38:28.821000Z",
"spacegroup": 14
},
{
"id": "mp-728313",
"created_at": "2022-09-04T14:42:58.234347Z",
"structure_string": "Rb8 As8 O8 F40\n1.0\n9.644464 0.000000 0.000000\n0.000000 9.909501 0.000000\n0.000000 0.000000 11.751391\nRb As O F\n8 8 8 40\ndirect\n0.731284 0.498581 0.165358 Rb\n0.768716 0.001419 0.665358 Rb\n0.268716 0.998581 0.834642 Rb\n0.231284 0.501419 0.334642 Rb\n0.268716 0.501419 0.834642 Rb\n0.231284 0.998581 0.334642 Rb\n0.731284 0.001419 0.165358 Rb\n0.768716 0.498581 0.665358 Rb\n0.563640 0.750000 0.402421 As\n0.936360 0.750000 0.902421 As\n0.436360 0.250000 0.597579 As\n0.063640 0.250000 0.097579 As\n0.906631 0.750000 0.399037 As\n0.593369 0.750000 0.899037 As\n0.093369 0.250000 0.600963 As\n0.406631 0.250000 0.100963 As\n0.734110 0.750000 0.338527 O\n0.765890 0.750000 0.838527 O\n0.265890 0.250000 0.661473 O\n0.234110 0.250000 0.161473 O\n0.250003 0.750000 0.154238 O\n0.249997 0.750000 0.654238 O\n0.749997 0.250000 0.845762 O\n0.750003 0.250000 0.345762 O\n0.386705 0.750000 0.449727 F\n0.113295 0.750000 0.949727 F\n0.613295 0.250000 0.550273 F\n0.886705 0.250000 0.050273 F\n0.857143 0.750000 0.545586 F\n0.642857 0.750000 0.045586 F\n0.142857 0.250000 0.454414 F\n0.357143 0.250000 0.954414 F\n0.513425 0.622012 0.301882 F\n0.986575 0.877988 0.801882 F\n0.486575 0.122012 0.698118 F\n0.013425 0.377988 0.198118 F\n0.486575 0.377988 0.698118 F\n0.013425 0.122012 0.198118 F\n0.513425 0.877988 0.301882 F\n0.986575 0.622012 0.801882 F\n0.600811 0.621899 0.503422 F\n0.899189 0.878101 0.003422 F\n0.399189 0.121899 0.496578 F\n0.100811 0.378101 0.996578 F\n0.399189 0.378101 0.496578 F\n0.100811 0.121899 0.996578 F\n0.600811 0.878101 0.503422 F\n0.899189 0.621899 0.003422 F\n0.911074 0.569389 0.401243 F\n0.588926 0.930611 0.901243 F\n0.088926 0.069389 0.598757 F\n0.411074 0.430611 0.098757 F\n0.088926 0.430611 0.598757 F\n0.411074 0.069389 0.098757 F\n0.911074 0.930611 0.401243 F\n0.588926 0.569389 0.901243 F\n0.969819 0.750000 0.255821 F\n0.530181 0.750000 0.755821 F\n0.030181 0.250000 0.744179 F\n0.469819 0.250000 0.244179 F\n0.085262 0.750000 0.442709 F\n0.414738 0.750000 0.942709 F\n0.914738 0.250000 0.557291 F\n0.585262 0.250000 0.057291 F\n",
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},
{
"id": "mp-17337",
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"structure_string": "Rb4 As4 O4 F16\n1.0\n6.108249 0.000000 0.000000\n0.000000 5.502863 0.000000\n0.000000 4.995893 14.172322\nRb As O F\n4 4 4 16\ndirect\n0.873224 0.650588 0.350987 Rb\n0.373224 0.349412 0.149013 Rb\n0.126776 0.349412 0.649013 Rb\n0.626776 0.650588 0.850987 Rb\n0.386564 0.019949 0.420170 As\n0.886564 0.980051 0.079830 As\n0.613436 0.980051 0.579830 As\n0.113436 0.019949 0.920170 As\n0.606813 0.820530 0.490823 O\n0.106813 0.179470 0.009177 O\n0.393187 0.179470 0.509177 O\n0.893187 0.820530 0.990823 O\n0.173256 0.796591 0.478225 F\n0.673256 0.203409 0.021775 F\n0.826744 0.203409 0.521775 F\n0.326744 0.796591 0.978225 F\n0.922487 0.244930 0.842098 F\n0.422487 0.755070 0.657902 F\n0.077513 0.755070 0.157902 F\n0.577513 0.244930 0.342098 F\n0.103508 0.852721 0.835622 F\n0.603508 0.147279 0.664378 F\n0.896492 0.147279 0.164378 F\n0.396492 0.852721 0.335622 F\n0.325885 0.225194 0.853147 F\n0.825885 0.774806 0.646853 F\n0.674115 0.774806 0.146853 F\n0.174115 0.225194 0.353147 F\n",
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{
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"structure_string": "Rb4 As4 Se12 O2\n1.0\n2.848701 11.342800 0.000000\n-2.848701 11.342800 0.000000\n0.000000 6.334494 10.471246\nRb As Se O\n4 4 12 2\ndirect\n0.562713 0.594991 0.551285 Rb\n0.405009 0.437287 0.948715 Rb\n0.437287 0.405009 0.448715 Rb\n0.594991 0.562713 0.051285 Rb\n0.140121 0.220554 0.214693 As\n0.779446 0.859879 0.285307 As\n0.859879 0.779446 0.785307 As\n0.220554 0.140121 0.714693 As\n0.717389 0.652236 0.186566 Se\n0.347764 0.282611 0.313434 Se\n0.282611 0.347764 0.813434 Se\n0.652236 0.717389 0.686566 Se\n0.174799 0.210312 0.404762 Se\n0.789688 0.825201 0.095238 Se\n0.825201 0.789688 0.595238 Se\n0.210312 0.174799 0.904762 Se\n0.034063 0.076041 0.322572 Se\n0.923959 0.965937 0.177428 Se\n0.965937 0.923959 0.677428 Se\n0.076041 0.034063 0.822572 Se\n0.876852 0.123148 0.750000 O\n0.123148 0.876852 0.250000 O\n",
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{
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"structure_string": "Rb8 Au8 C16 N16\n1.0\n4.666327 9.260577 0.000000\n-4.666327 9.260577 0.000000\n0.000000 3.987401 13.297605\nRb Au C N\n8 8 16 16\ndirect\n0.422308 0.227908 0.982695 Rb\n0.772092 0.577692 0.517305 Rb\n0.227908 0.422308 0.482695 Rb\n0.483837 0.010641 0.316290 Rb\n0.577692 0.772092 0.017305 Rb\n0.516163 0.989359 0.683710 Rb\n0.989359 0.516163 0.183710 Rb\n0.010641 0.483837 0.816290 Rb\n0.513007 0.486993 0.750000 Au\n0.135239 0.832184 0.576983 Au\n0.864761 0.167816 0.423017 Au\n0.832184 0.135239 0.076983 Au\n0.099718 0.900282 0.250000 Au\n0.486993 0.513007 0.250000 Au\n0.900282 0.099718 0.750000 Au\n0.167816 0.864761 0.923017 Au\n0.600837 0.584292 0.794847 C\n0.022938 0.225006 0.404674 C\n0.584292 0.600837 0.294847 C\n0.314480 0.860634 0.558153 C\n0.003010 0.219400 0.687732 C\n0.139366 0.685520 0.941847 C\n0.977062 0.774994 0.595326 C\n0.860634 0.314480 0.058153 C\n0.219400 0.003010 0.187732 C\n0.685520 0.139366 0.441847 C\n0.415708 0.399163 0.705153 C\n0.996990 0.780600 0.312268 C\n0.225006 0.022938 0.904674 C\n0.774994 0.977062 0.095326 C\n0.399163 0.415708 0.205153 C\n0.780600 0.996990 0.812268 C\n0.730264 0.892781 0.106054 N\n0.297857 0.054836 0.150393 N\n0.645795 0.649089 0.320859 N\n0.892781 0.730264 0.606054 N\n0.350911 0.354205 0.179141 N\n0.649089 0.645795 0.820859 N\n0.867140 0.426734 0.047471 N\n0.426734 0.867140 0.547471 N\n0.573266 0.132860 0.452529 N\n0.269736 0.107219 0.893946 N\n0.702143 0.945164 0.849607 N\n0.107219 0.269736 0.393946 N\n0.354205 0.350911 0.679141 N\n0.945164 0.702143 0.349607 N\n0.054836 0.297857 0.650393 N\n0.132860 0.573266 0.952529 N\n",
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},
{
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