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{
"id": "mp-1105198",
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"structure_string": "Rb4 Pa2 F14\n1.0\n3.537502 7.180373 0.000000\n-3.537502 7.180373 0.000000\n0.000000 4.723130 6.843679\nRb Pa F\n4 2 14\ndirect\n0.318856 0.337945 0.112185 Rb\n0.662055 0.681144 0.387815 Rb\n0.681144 0.662055 0.887815 Rb\n0.337945 0.318856 0.612185 Rb\n0.024753 0.975247 0.250000 Pa\n0.975247 0.024753 0.750000 Pa\n0.946214 0.713855 0.483780 F\n0.286145 0.053786 0.016220 F\n0.053786 0.286145 0.516220 F\n0.713855 0.946214 0.983780 F\n0.339505 0.660495 0.250000 F\n0.660495 0.339505 0.750000 F\n0.895264 0.323056 0.210072 F\n0.676944 0.104736 0.289928 F\n0.104736 0.676944 0.789928 F\n0.323056 0.895264 0.710072 F\n0.055233 0.800380 0.078882 F\n0.199620 0.944767 0.421118 F\n0.944767 0.199620 0.921118 F\n0.800380 0.055233 0.578882 F\n",
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{
"id": "mp-1195806",
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"structure_string": "Be8 N4 Cl20\n1.0\n0.000000 7.138465 7.138465\n7.138465 0.000000 7.138465\n7.138465 7.138465 0.000000\nBe N Cl\n8 4 20\ndirect\n0.004425 0.331858 0.331858 Be\n0.331858 0.004425 0.331858 Be\n0.331858 0.331858 0.004425 Be\n0.331858 0.331858 0.331858 Be\n0.245575 0.918142 0.918142 Be\n0.918142 0.245575 0.918142 Be\n0.918142 0.918142 0.245575 Be\n0.918142 0.918142 0.918142 Be\n0.125000 0.625000 0.625000 N\n0.625000 0.125000 0.625000 N\n0.625000 0.625000 0.125000 N\n0.625000 0.625000 0.625000 N\n0.084105 0.084105 0.415895 Cl\n0.415895 0.415895 0.084105 Cl\n0.084105 0.415895 0.084105 Cl\n0.415895 0.084105 0.415895 Cl\n0.415895 0.084105 0.084105 Cl\n0.084105 0.415895 0.415895 Cl\n0.165895 0.165895 0.834105 Cl\n0.834105 0.834105 0.165895 Cl\n0.165895 0.834105 0.165895 Cl\n0.834105 0.165895 0.834105 Cl\n0.834105 0.165895 0.165895 Cl\n0.165895 0.834105 0.834105 Cl\n0.763603 0.412132 0.412132 Cl\n0.412132 0.763603 0.412132 Cl\n0.412132 0.412132 0.763603 Cl\n0.412132 0.412132 0.412132 Cl\n0.486397 0.837868 0.837868 Cl\n0.837868 0.486397 0.837868 Cl\n0.837868 0.837868 0.486397 Cl\n0.837868 0.837868 0.837868 Cl\n",
"nsites": 32,
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"elements": [
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],
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"density": 1.9108458379553663,
"density_atomic": 0.04398508941211268,
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"formula_full": "Be8 N4 Cl20",
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"updated_at": "2021-11-28T01:37:38.086000Z",
"spacegroup": 227
},
{
"id": "mp-1199220",
"created_at": "2022-09-04T14:46:23.149296Z",
"structure_string": "Eu6 Rh8 Pb26\n1.0\n10.231555 0.000000 0.000000\n0.000000 10.231555 0.000000\n0.000000 0.000000 10.231555\nEu Rh Pb\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Eu\n0.500000 0.250000 0.000000 Eu\n0.750000 0.000000 0.500000 Eu\n0.000000 0.500000 0.250000 Eu\n0.500000 0.750000 0.000000 Eu\n0.250000 0.000000 0.500000 Eu\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.805821 0.344754 0.500000 Pb\n0.655246 0.500000 0.805821 Pb\n0.500000 0.194179 0.655246 Pb\n0.194179 0.655246 0.500000 Pb\n0.344754 0.500000 0.194179 Pb\n0.500000 0.805821 0.344754 Pb\n0.805821 0.655246 0.500000 Pb\n0.655246 0.500000 0.194179 Pb\n0.194179 0.344754 0.500000 Pb\n0.344754 0.500000 0.805821 Pb\n0.500000 0.805821 0.655246 Pb\n0.500000 0.194179 0.344754 Pb\n0.305821 0.000000 0.844754 Pb\n0.155246 0.305821 0.000000 Pb\n0.000000 0.155246 0.694179 Pb\n0.694179 0.000000 0.155246 Pb\n0.844754 0.694179 0.000000 Pb\n0.000000 0.844754 0.305821 Pb\n0.305821 0.000000 0.155246 Pb\n0.155246 0.694179 0.000000 Pb\n0.694179 0.000000 0.844754 Pb\n0.844754 0.305821 0.000000 Pb\n0.000000 0.155246 0.305821 Pb\n0.000000 0.844754 0.694179 Pb\n",
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"elements": [
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"density": 11.041804166832723,
"density_atomic": 0.03734522341042748,
"volume": 1071.0874469914472,
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"formula_full": "Eu6 Rh8 Pb26",
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"formula_anonymous": "A3B4C13",
"energy": -228.37924122,
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{
"id": "mp-581639",
"created_at": "2022-09-04T14:46:26.868972Z",
"structure_string": "Mg16 B8 N16 Cl8\n1.0\n6.684854 0.000000 0.000000\n0.000000 9.838927 0.000000\n0.000000 0.000000 10.654980\nMg B N Cl\n16 8 16 8\ndirect\n0.697080 0.951791 0.057748 Mg\n0.941851 0.249167 0.807181 Mg\n0.941851 0.250833 0.307181 Mg\n0.441851 0.249167 0.692819 Mg\n0.441851 0.250833 0.192819 Mg\n0.197080 0.951791 0.442252 Mg\n0.302920 0.451791 0.442252 Mg\n0.558149 0.750833 0.307181 Mg\n0.558149 0.749167 0.807181 Mg\n0.302920 0.048209 0.942252 Mg\n0.697080 0.548209 0.557748 Mg\n0.802920 0.048209 0.557748 Mg\n0.058149 0.749167 0.692819 Mg\n0.058149 0.750833 0.192819 Mg\n0.197080 0.548209 0.942252 Mg\n0.802920 0.451791 0.057748 Mg\n0.643408 0.039224 0.801367 B\n0.643408 0.460776 0.301367 B\n0.856592 0.960776 0.301367 B\n0.356592 0.960776 0.198633 B\n0.356592 0.539224 0.698633 B\n0.143408 0.460776 0.198633 B\n0.856592 0.539224 0.801367 B\n0.143408 0.039224 0.698633 B\n0.071031 0.943196 0.622389 N\n0.928969 0.443196 0.877611 N\n0.294618 0.640650 0.773700 N\n0.705382 0.359350 0.226300 N\n0.705382 0.140650 0.726300 N\n0.571031 0.943196 0.877611 N\n0.294618 0.859350 0.273700 N\n0.928969 0.056804 0.377611 N\n0.205382 0.140650 0.773700 N\n0.428969 0.056804 0.122389 N\n0.205382 0.359350 0.273700 N\n0.794618 0.859350 0.226300 N\n0.428969 0.443196 0.622389 N\n0.794618 0.640650 0.726300 N\n0.571031 0.556804 0.377611 N\n0.071031 0.556804 0.122389 N\n0.435756 0.157794 0.458942 Cl\n0.064244 0.657794 0.458942 Cl\n0.564244 0.657794 0.041058 Cl\n0.435756 0.342206 0.958942 Cl\n0.564244 0.842206 0.541058 Cl\n0.064244 0.842206 0.958942 Cl\n0.935756 0.342206 0.541058 Cl\n0.935756 0.157794 0.041058 Cl\n",
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"volume": 700.7971124659057,
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"formula_full": "Mg16 B8 N16 Cl8",
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"spacegroup": 61
},
{
"id": "mp-504801",
"created_at": "2022-09-04T14:46:23.157867Z",
"structure_string": "Er2 H2 O4\n1.0\n3.616236 0.000000 0.000000\n0.000000 4.307739 0.000000\n0.000000 2.007332 5.602874\nEr H O\n2 2 4\ndirect\n0.750000 0.836225 0.811221 Er\n0.250000 0.163775 0.188779 Er\n0.750000 0.483543 0.403663 H\n0.250000 0.516457 0.596337 H\n0.750000 0.267427 0.946650 O\n0.250000 0.732573 0.053350 O\n0.750000 0.247239 0.433263 O\n0.250000 0.752761 0.566737 O\n",
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"elements": [
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],
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"volume": 87.28045536190645,
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"formula_full": "Er2 H2 O4",
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{
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"structure_string": "Ho4 In2 Au4\n1.0\n7.997049 0.000000 0.000000\n0.000000 7.997049 0.000000\n0.000000 0.000000 3.669694\nHo In Au\n4 2 4\ndirect\n0.670715 0.170715 0.500000 Ho\n0.329285 0.829285 0.500000 Ho\n0.170715 0.329285 0.500000 Ho\n0.829285 0.670715 0.500000 Ho\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.128044 0.628044 0.000000 Au\n0.871956 0.371956 0.000000 Au\n0.628044 0.871956 0.000000 Au\n0.371956 0.128044 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:46:24.293264Z",
"structure_string": "Ga2 Ni18 B16\n1.0\n3.557705 -4.060566 0.000000\n3.557705 4.060566 0.000000\n0.000000 0.000000 10.744282\nGa Ni B\n2 18 16\ndirect\n0.914462 0.085538 0.750000 Ga\n0.085538 0.914462 0.250000 Ga\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.710208 0.289792 0.919131 Ni\n0.289792 0.710208 0.080869 Ni\n0.710208 0.289792 0.580869 Ni\n0.289792 0.710208 0.419131 Ni\n0.397169 0.051790 0.750000 Ni\n0.051790 0.397169 0.250000 Ni\n0.602831 0.948210 0.250000 Ni\n0.948210 0.602831 0.750000 Ni\n0.622085 0.759427 0.885962 Ni\n0.759427 0.622085 0.114038 Ni\n0.622085 0.759427 0.614038 Ni\n0.759427 0.622085 0.385962 Ni\n0.377915 0.240573 0.114038 Ni\n0.240573 0.377915 0.885962 Ni\n0.377915 0.240573 0.385962 Ni\n0.240573 0.377915 0.614038 Ni\n0.564578 0.435422 0.750000 B\n0.435422 0.564578 0.250000 B\n0.351579 0.648421 0.750000 B\n0.648421 0.351579 0.250000 B\n0.779121 0.220879 0.380208 B\n0.220879 0.779121 0.619792 B\n0.779121 0.220879 0.119792 B\n0.220879 0.779121 0.880208 B\n0.383007 0.039877 0.948871 B\n0.039877 0.383007 0.051129 B\n0.383007 0.039877 0.551129 B\n0.039877 0.383007 0.448871 B\n0.616993 0.960123 0.051129 B\n0.960123 0.616993 0.948871 B\n0.616993 0.960123 0.448871 B\n0.960123 0.616993 0.551129 B\n",
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"formula_full": "Ga2 Ni18 B16",
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{
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"structure_string": "Ca4 Zn2 Ge4 O14\n1.0\n8.064218 0.000000 0.000000\n0.000000 8.064218 0.000000\n0.000000 0.000000 5.228912\nCa Zn Ge O\n4 2 4 14\ndirect\n0.332893 0.832893 0.508649 Ca\n0.167107 0.332893 0.491351 Ca\n0.832893 0.667107 0.491351 Ca\n0.667107 0.167107 0.508649 Ca\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.144889 0.644889 0.943254 Ge\n0.355111 0.144889 0.056746 Ge\n0.644889 0.855111 0.056746 Ge\n0.855111 0.355111 0.943254 Ge\n0.673500 0.412837 0.774363 O\n0.326500 0.587163 0.774363 O\n0.412837 0.326500 0.225637 O\n0.587163 0.673500 0.225637 O\n0.912837 0.173500 0.774363 O\n0.826500 0.912837 0.225637 O\n0.173500 0.087163 0.225637 O\n0.087163 0.826500 0.774363 O\n0.860035 0.360035 0.275332 O\n0.639965 0.860035 0.724668 O\n0.500000 0.000000 0.204222 O\n0.000000 0.500000 0.795778 O\n0.139965 0.639965 0.275332 O\n0.360035 0.139965 0.724668 O\n",
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{
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{
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{
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{
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}