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{
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{
"id": "mp-865785",
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{
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{
"id": "mp-864655",
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"structure_string": "Pa1 Co3\n1.0\n3.803994 0.000000 0.000000\n0.000000 3.803994 0.000000\n0.000000 0.000000 3.803994\nPa Co\n1 3\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n",
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"updated_at": "2021-11-28T01:35:13.785000Z",
"spacegroup": 221
},
{
"id": "mp-11497",
"created_at": "2022-09-04T14:45:15.313135Z",
"structure_string": "Tb4 Mg8\n1.0\n3.036487 -5.259350 0.000000\n3.036487 5.259350 0.000000\n0.000000 0.000000 9.804248\nTb Mg\n4 8\ndirect\n0.333333 0.666667 0.064543 Tb\n0.666667 0.333333 0.564543 Tb\n0.666667 0.333333 0.935457 Tb\n0.333333 0.666667 0.435457 Tb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.828961 0.657923 0.250000 Mg\n0.171039 0.828961 0.750000 Mg\n0.657923 0.828961 0.750000 Mg\n0.342077 0.171039 0.250000 Mg\n0.828961 0.171039 0.250000 Mg\n0.171039 0.342077 0.750000 Mg\n",
"nsites": 12,
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"density": 4.4020339457838285,
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"volume": 313.14665958500774,
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{
"id": "mp-1182972",
"created_at": "2022-09-04T14:42:57.303216Z",
"structure_string": "Ag2 C2 N2 O2\n1.0\n4.495990 1.838391 -1.923892\n-1.498697 4.498974 -2.192740\n-0.450274 -1.838390 4.869553\nAg C N O\n2 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.750000 0.750000 0.000000 N\n0.250000 0.250000 0.000000 N\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
"id": "mp-4219",
"created_at": "2022-09-04T14:42:40.208550Z",
"structure_string": "Ce2 Ge2 Au2\n1.0\n2.235071 -3.871256 0.000000\n2.235071 3.871256 0.000000\n0.000000 0.000000 7.972990\nCe Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.502793 Ce\n0.000000 0.000000 0.002793 Ce\n0.333333 0.666667 0.728723 Ge\n0.666667 0.333333 0.228723 Ge\n0.666667 0.333333 0.771684 Au\n0.333333 0.666667 0.271684 Au\n",
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"formula_reduced": "CeGeAu",
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{
"id": "mp-1179028",
"created_at": "2022-09-04T14:39:59.416784Z",
"structure_string": "Tl1 Cu3 Pb1 Se4\n1.0\n6.232701 0.000000 0.000000\n0.000000 6.232701 0.000000\n0.000000 0.000000 6.232701\nTl Cu Pb Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.244611 0.244611 0.244611 Se\n0.755389 0.755389 0.244611 Se\n0.244611 0.755389 0.755389 Se\n0.755389 0.244611 0.755389 Se\n",
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],
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"volume": 242.11900429944953,
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"formula_full": "Tl1 Cu3 Pb1 Se4",
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"energy": -34.02584263,
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{
"id": "mp-35152",
"created_at": "2022-09-04T14:41:17.705916Z",
"structure_string": "Sr2 H5 Rh1\n1.0\n-2.679101 2.679101 3.913618\n2.679101 -2.679101 3.913618\n2.679101 2.679101 -3.913618\nSr H Rh\n2 5 1\ndirect\n0.748746 0.248746 0.500000 Sr\n0.248746 0.748746 0.500000 Sr\n0.772174 0.217568 0.000000 H\n0.217568 0.217568 0.445394 H\n0.772174 0.772174 0.554606 H\n0.217568 0.772174 0.000000 H\n0.237952 0.237952 0.000000 H\n0.008070 0.008070 0.000000 Rh\n",
"nsites": 8,
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"formula_full": "Sr2 H5 Rh1",
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{
"id": "mp-1147635",
"created_at": "2022-09-04T14:44:58.414159Z",
"structure_string": "K2 Cd2 Cu1 S2 O2\n1.0\n4.063469 0.000000 -0.896449\n-0.197767 4.058654 -0.896449\n0.608737 0.639121 12.417084\nK Cd Cu S O\n2 2 1 2 2\ndirect\n0.568526 0.568526 0.137051 K\n0.431474 0.431474 0.862949 K\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.817611 0.817611 0.635221 S\n0.182389 0.182389 0.364779 S\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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{
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{
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{
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"structure_string": "Sr4 Si4\n1.0\n4.058661 0.000000 0.000000\n0.000000 6.138727 0.000000\n0.000000 0.000000 8.906592\nSr Si\n4 4\ndirect\n0.250000 0.392006 0.680546 Sr\n0.750000 0.607994 0.319454 Sr\n0.750000 0.892006 0.819454 Sr\n0.250000 0.107994 0.180546 Sr\n0.250000 0.892916 0.531929 Si\n0.750000 0.107084 0.468071 Si\n0.750000 0.392916 0.968071 Si\n0.250000 0.607084 0.031929 Si\n",
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}