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{
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{
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"updated_at": "2021-11-28T01:34:52.374000Z",
"spacegroup": 63
},
{
"id": "mp-997041",
"created_at": "2022-09-04T14:40:29.011830Z",
"structure_string": "Na2 Cu2 O4\n1.0\n1.860020 -5.471907 0.000000\n1.860020 5.471907 0.000000\n0.000000 0.000000 5.420519\nNa Cu O\n2 2 4\ndirect\n0.709689 0.290311 0.250000 Na\n0.290311 0.709689 0.750000 Na\n0.996663 0.003337 0.250000 Cu\n0.003337 0.996663 0.750000 Cu\n0.114498 0.885502 0.493589 O\n0.885502 0.114498 0.506411 O\n0.114498 0.885502 0.006411 O\n0.885502 0.114498 0.993589 O\n",
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{
"id": "mp-1246057",
"created_at": "2022-09-04T14:40:29.012939Z",
"structure_string": "Sr6 Re4 N8\n1.0\n7.382410 -0.351009 -0.389124\n-5.948369 7.601299 0.000000\n-0.396467 -0.310254 5.542051\nSr Re N\n6 4 8\ndirect\n0.248503 0.008955 0.039075 Sr\n0.751497 0.760452 0.460925 Sr\n0.751497 0.991045 0.960925 Sr\n0.248503 0.239548 0.539075 Sr\n0.000000 0.611756 0.750000 Sr\n0.000000 0.388244 0.250000 Sr\n0.606166 0.164371 0.589062 Re\n0.393834 0.558205 0.910938 Re\n0.393834 0.835629 0.410938 Re\n0.606166 0.441795 0.089062 Re\n0.237206 0.939104 0.521804 N\n0.762794 0.701898 0.978196 N\n0.762794 0.060896 0.478196 N\n0.237206 0.298102 0.021804 N\n0.640524 0.298687 0.885634 N\n0.359476 0.658164 0.614366 N\n0.359476 0.701313 0.114366 N\n0.640524 0.341836 0.385634 N\n",
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"elements": [
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"density": 7.71628275164982,
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"volume": 297.53497172622235,
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"formula_full": "Sr6 Re4 N8",
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{
"id": "mp-1198802",
"created_at": "2022-09-04T14:40:29.014569Z",
"structure_string": "Zn4 Br8 O48\n1.0\n9.579724 0.000000 0.000000\n0.000000 9.579724 0.000000\n0.000000 0.000000 9.579724\nZn Br O\n4 8 48\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.241392 0.758608 0.258608 Br\n0.758608 0.258608 0.241392 Br\n0.258608 0.241392 0.758608 Br\n0.741392 0.741392 0.741392 Br\n0.758608 0.241392 0.741392 Br\n0.241392 0.741392 0.758608 Br\n0.741392 0.758608 0.241392 Br\n0.258608 0.258608 0.258608 Br\n0.539467 0.697822 0.046812 O\n0.460533 0.197822 0.453188 O\n0.960533 0.302178 0.546812 O\n0.039467 0.802178 0.953188 O\n0.046812 0.539467 0.697822 O\n0.453188 0.460533 0.197822 O\n0.546812 0.960533 0.302178 O\n0.953188 0.039467 0.802178 O\n0.697822 0.046812 0.539467 O\n0.197822 0.453188 0.460533 O\n0.302178 0.546812 0.960533 O\n0.802178 0.953188 0.039467 O\n0.460533 0.302178 0.953188 O\n0.539467 0.802178 0.546812 O\n0.039467 0.697822 0.453188 O\n0.960533 0.197822 0.046812 O\n0.953188 0.460533 0.302178 O\n0.546812 0.539467 0.802178 O\n0.453188 0.039467 0.697822 O\n0.046812 0.960533 0.197822 O\n0.302178 0.953188 0.460533 O\n0.802178 0.546812 0.539467 O\n0.697822 0.453188 0.039467 O\n0.197822 0.046812 0.960533 O\n0.159012 0.682359 0.120213 O\n0.840988 0.182359 0.379787 O\n0.340988 0.317641 0.620213 O\n0.659012 0.817641 0.879787 O\n0.120213 0.159012 0.682359 O\n0.379787 0.840988 0.182359 O\n0.620213 0.340988 0.317641 O\n0.879787 0.659012 0.817641 O\n0.682359 0.120213 0.159012 O\n0.182359 0.379787 0.840988 O\n0.317641 0.620213 0.340988 O\n0.817641 0.879787 0.659012 O\n0.840988 0.317641 0.879787 O\n0.159012 0.817641 0.620213 O\n0.659012 0.682359 0.379787 O\n0.340988 0.182359 0.120213 O\n0.879787 0.840988 0.317641 O\n0.620213 0.159012 0.817641 O\n0.379787 0.659012 0.682359 O\n0.120213 0.340988 0.182359 O\n0.317641 0.879787 0.840988 O\n0.817641 0.620213 0.159012 O\n0.682359 0.379787 0.659012 O\n0.182359 0.120213 0.340988 O\n",
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"formula_full": "Zn4 Br8 O48",
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"spacegroup": 205
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{
"id": "mp-1194895",
"created_at": "2022-09-04T14:40:29.040427Z",
"structure_string": "Th8 Te12 Mo4 O52\n1.0\n7.191032 0.000000 0.000000\n0.000000 11.507210 0.000000\n0.000000 0.141584 14.225593\nTh Te Mo O\n8 12 4 52\ndirect\n0.608051 0.747117 0.247209 Th\n0.108051 0.252883 0.252791 Th\n0.391949 0.252883 0.752791 Th\n0.891949 0.747117 0.747209 Th\n0.243966 0.080695 0.003013 Th\n0.743966 0.919305 0.496987 Th\n0.756034 0.919305 0.996987 Th\n0.256034 0.080695 0.503013 Th\n0.743219 0.231999 0.979338 Te\n0.243219 0.768001 0.520662 Te\n0.256781 0.768001 0.020662 Te\n0.756781 0.231999 0.479338 Te\n0.685263 0.055935 0.245715 Te\n0.185263 0.944065 0.254285 Te\n0.314737 0.944065 0.754285 Te\n0.814737 0.055935 0.745715 Te\n0.278341 0.387229 0.997747 Te\n0.778341 0.612771 0.502253 Te\n0.721659 0.612771 0.002253 Te\n0.221659 0.387229 0.497747 Te\n0.629944 0.417671 0.238616 Mo\n0.129944 0.582329 0.261384 Mo\n0.370056 0.582329 0.761384 Mo\n0.870056 0.417671 0.738616 Mo\n0.739474 0.737834 0.089663 O\n0.239474 0.262166 0.410337 O\n0.260526 0.262166 0.910337 O\n0.760526 0.737834 0.589663 O\n0.424412 0.886944 0.976323 O\n0.924412 0.113056 0.523677 O\n0.575588 0.113056 0.023677 O\n0.075588 0.886944 0.476323 O\n0.466839 0.631853 0.975308 O\n0.966839 0.368147 0.524692 O\n0.533161 0.368147 0.024692 O\n0.033161 0.631853 0.475308 O\n0.331490 0.774003 0.147444 O\n0.831490 0.225997 0.352556 O\n0.668510 0.225997 0.852556 O\n0.168510 0.774003 0.647444 O\n0.182012 0.271366 0.085922 O\n0.682012 0.728634 0.414078 O\n0.817988 0.728634 0.914078 O\n0.317988 0.271366 0.585922 O\n0.662760 0.354725 0.688741 O\n0.162760 0.645275 0.811259 O\n0.337240 0.645275 0.311259 O\n0.837240 0.354725 0.188741 O\n0.214540 0.056321 0.667447 O\n0.714540 0.943679 0.832553 O\n0.785460 0.943679 0.332553 O\n0.285460 0.056321 0.167447 O\n0.925378 0.098543 0.963540 O\n0.425378 0.901457 0.536460 O\n0.074622 0.901457 0.036460 O\n0.574622 0.098543 0.463540 O\n0.067358 0.320666 0.737092 O\n0.567358 0.679334 0.762908 O\n0.932642 0.679334 0.262908 O\n0.432642 0.320666 0.237092 O\n0.665248 0.929811 0.157975 O\n0.165248 0.070189 0.342025 O\n0.334752 0.070189 0.842025 O\n0.834752 0.929811 0.657975 O\n0.910966 0.105205 0.188206 O\n0.410966 0.894795 0.311794 O\n0.089034 0.894795 0.811794 O\n0.589034 0.105205 0.688206 O\n0.910527 0.554050 0.675438 O\n0.410527 0.445950 0.824562 O\n0.089473 0.445950 0.324562 O\n0.589473 0.554050 0.175438 O\n0.665132 0.463812 0.355368 O\n0.165132 0.536188 0.144632 O\n0.334868 0.536188 0.644632 O\n0.834868 0.463812 0.855368 O\n",
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{
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"structure_string": "V4 Cu6 Pb2 Cl4 O16\n1.0\n-4.854860 5.086821 5.352101\n4.854860 -5.086821 5.352101\n4.854860 5.086821 -5.352101\nV Cu Pb Cl O\n4 6 2 4 16\ndirect\n0.812432 0.062432 0.250000 V\n0.812432 0.562432 0.750000 V\n0.187568 0.937568 0.750000 V\n0.187568 0.437568 0.250000 V\n0.000000 0.000000 0.000000 Cu\n0.443729 0.743350 0.700379 Cu\n0.556271 0.256650 0.299621 Cu\n0.957029 0.756650 0.200379 Cu\n0.000000 0.500000 0.500000 Cu\n0.042971 0.243350 0.799621 Cu\n0.500000 0.750000 0.250000 Pb\n0.500000 0.250000 0.750000 Pb\n0.742940 0.081689 0.661251 Cl\n0.420438 0.581689 0.838749 Cl\n0.257060 0.918311 0.338749 Cl\n0.579562 0.418311 0.161251 Cl\n0.395961 0.624520 0.444984 O\n0.818091 0.037869 0.045711 O\n0.818091 0.772379 0.780221 O\n0.604039 0.375480 0.555016 O\n0.179536 0.450977 0.055016 O\n0.181909 0.962131 0.954289 O\n0.604039 0.049023 0.228559 O\n0.992158 0.537869 0.719779 O\n0.179536 0.124520 0.728559 O\n0.007842 0.727621 0.545711 O\n0.820464 0.549023 0.944984 O\n0.820464 0.875480 0.271441 O\n0.992158 0.272379 0.454289 O\n0.395961 0.950977 0.771441 O\n0.181909 0.227621 0.219779 O\n0.007842 0.462131 0.280221 O\n",
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{
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"structure_string": "Sn1 C1 I3 N1\n1.0\n6.002540 0.000000 0.000000\n0.000000 6.002540 0.000000\n0.000000 0.000000 5.926104\nSn C I N\n1 1 3 1\ndirect\n0.000000 0.000000 0.950276 Sn\n0.500000 0.500000 0.308394 C\n0.500000 0.000000 0.962951 I\n0.000000 0.500000 0.962951 I\n0.000000 0.000000 0.462125 I\n0.500000 0.500000 0.507503 N\n",
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{
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{
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}