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{
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{
"id": "mp-1183171",
"created_at": "2022-09-04T14:41:06.662811Z",
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{
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{
"id": "mp-30341",
"created_at": "2022-09-04T14:42:14.497297Z",
"structure_string": "Ti1 Ag1 Hg2\n1.0\n4.393176 0.000000 0.000000\n0.000000 4.393176 0.000000\n0.000000 0.000000 4.162783\nTi Ag Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n",
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"density_atomic": 0.04978735037649176,
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"formula_full": "Ti1 Ag1 Hg2",
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"spacegroup": 123
},
{
"id": "mp-1208831",
"created_at": "2022-09-04T14:48:22.721978Z",
"structure_string": "Sr2 H1 Br2\n1.0\n5.362899 0.000000 0.000000\n0.000000 5.362899 0.000000\n0.000000 0.000000 15.606904\nSr H Br\n2 1 2\ndirect\n0.500000 0.500000 0.146872 Sr\n0.500000 0.500000 0.853128 Sr\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.679588 Br\n0.500000 0.500000 0.320412 Br\n",
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"elements": [
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"volume": 448.8652604474993,
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"formula_full": "Sr2 H1 Br2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "mp-529",
"created_at": "2022-09-04T14:41:51.455502Z",
"structure_string": "Sm2 Mg4\n1.0\n0.000000 4.312342 4.312342\n4.312342 0.000000 4.312342\n4.312342 4.312342 0.000000\nSm Mg\n2 4\ndirect\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Sm\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
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},
{
"id": "mp-1402254",
"created_at": "2022-09-04T14:43:06.046080Z",
"structure_string": "Cu3 Te2 O10\n1.0\n5.207331 0.000000 0.000000\n-1.441977 5.315019 0.000000\n-1.015752 -2.828976 7.172888\nCu Te O\n3 2 10\ndirect\n0.000000 0.500000 0.000000 Cu\n0.699128 0.979948 0.903928 Cu\n0.300872 0.020052 0.096072 Cu\n0.114286 0.012952 0.694802 Te\n0.885714 0.987048 0.305198 Te\n0.064046 0.203140 0.844817 O\n0.313691 0.774864 0.943941 O\n0.096215 0.785115 0.543447 O\n0.197728 0.248661 0.205748 O\n0.473027 0.188776 0.680320 O\n0.526973 0.811224 0.319680 O\n0.802272 0.751339 0.794252 O\n0.903785 0.214885 0.456553 O\n0.686309 0.225136 0.056059 O\n0.935954 0.796860 0.155183 O\n",
"nsites": 15,
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"elements": [
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"density": 5.067424085425478,
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"volume": 198.52447453328614,
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"formula_full": "Cu3 Te2 O10",
"formula_reduced": "Cu3(TeO5)2",
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"energy": -40.90577317,
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},
{
"id": "mp-979963",
"created_at": "2022-09-04T14:40:12.064454Z",
"structure_string": "Yb3 Ti1\n1.0\n5.062260 0.000000 0.000000\n0.000000 5.062260 0.000000\n0.000000 0.000000 5.062260\nYb Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
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"volume": 129.72788595291118,
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"formula_full": "Yb3 Ti1",
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},
{
"id": "mp-971834",
"created_at": "2022-09-04T14:46:18.623474Z",
"structure_string": "Y1 Mg16 Al12\n1.0\n-5.267683 5.267683 5.267683\n5.267683 -5.267683 5.267683\n5.267683 5.267683 -5.267683\nY Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.319200 0.602726 0.000000 Mg\n0.357854 0.000000 0.000000 Mg\n0.000000 0.357854 0.000000 Mg\n0.602726 0.319200 0.000000 Mg\n0.397274 0.397274 0.716474 Mg\n0.680800 0.283526 0.680800 Mg\n0.283526 0.680800 0.680800 Mg\n0.642146 0.642146 0.642146 Mg\n0.000000 0.319200 0.602726 Mg\n0.319200 0.000000 0.602726 Mg\n0.716474 0.397274 0.397274 Mg\n0.397274 0.716474 0.397274 Mg\n0.000000 0.000000 0.357854 Mg\n0.000000 0.602726 0.319200 Mg\n0.602726 0.000000 0.319200 Mg\n0.680800 0.680800 0.283526 Mg\n0.631625 0.813136 0.000000 Al\n0.813136 0.631625 0.000000 Al\n0.186864 0.186864 0.818489 Al\n0.000000 0.631625 0.813136 Al\n0.631625 0.000000 0.813136 Al\n0.813136 0.000000 0.631625 Al\n0.000000 0.813136 0.631625 Al\n0.368375 0.181511 0.368375 Al\n0.181511 0.368375 0.368375 Al\n0.818489 0.186864 0.186864 Al\n0.186864 0.818489 0.186864 Al\n0.368375 0.368375 0.181511 Al\n",
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{
"id": "mp-1097663",
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"structure_string": "Mg1 Co2 Sn1\n1.0\n-5.076253 5.202498 7.370485\n5.076253 -5.202498 7.370485\n5.076253 5.202498 -7.370485\nMg Co Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.259863 0.259863 Co\n0.000000 0.740137 0.740137 Co\n0.000000 0.500000 0.500000 Sn\n",
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{
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{
"id": "mp-1096259",
"created_at": "2022-09-04T14:41:45.753162Z",
"structure_string": "Zr2 Hg1 Au1\n1.0\n-5.690312 5.948085 8.298786\n5.690312 -5.948085 8.298786\n5.690312 5.948085 -8.298786\nZr Hg Au\n2 1 1\ndirect\n0.000000 0.230362 0.230362 Zr\n0.000000 0.769638 0.769638 Zr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "K3 Ga9\n1.0\n-3.179423 3.179423 7.483472\n3.179423 -3.179423 7.483472\n3.179423 3.179423 -7.483472\nK Ga\n3 9\ndirect\n0.126662 0.626662 0.500000 K\n0.373338 0.873338 0.500000 K\n0.000000 0.000000 0.000000 K\n0.778169 0.572330 0.794162 Ga\n0.015993 0.221831 0.794162 Ga\n0.697774 0.392377 0.305397 Ga\n0.607623 0.913021 0.305397 Ga\n0.607623 0.302226 0.694603 Ga\n0.086979 0.392377 0.694603 Ga\n0.778169 0.984007 0.205838 Ga\n0.427670 0.221831 0.205838 Ga\n0.500000 0.500000 0.000000 Ga\n",
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}