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{
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{
"id": "mp-973777",
"created_at": "2022-09-04T14:45:40.047532Z",
"structure_string": "Hg3 F1\n1.0\n4.421456 0.000000 0.000000\n0.000000 4.421456 0.000000\n0.000000 0.000000 4.421456\nHg F\n3 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 F\n",
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"formula_full": "Hg3 F1",
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{
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{
"id": "mp-1097574",
"created_at": "2022-09-04T14:44:28.202268Z",
"structure_string": "Ba2 Hg1 Ge1\n1.0\n-6.462767 6.606354 9.292899\n6.462767 -6.606354 9.292899\n6.462767 6.606354 -9.292899\nBa Hg Ge\n2 1 1\ndirect\n0.000000 0.220861 0.220861 Ba\n0.000000 0.779139 0.779139 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
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"formula_full": "Ba2 Hg1 Ge1",
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"formula_anonymous": "ABC2",
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"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.902000Z",
"spacegroup": 71
},
{
"id": "mp-1026639",
"created_at": "2022-09-04T14:44:16.594452Z",
"structure_string": "Cs1 Rb1 Mg14\n1.0\n7.067559 0.000000 0.000000\n-3.533779 6.120685 0.000000\n0.000000 0.000000 10.525846\nCs Rb Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Rb\n0.173857 0.836928 0.125000 Mg\n0.174734 0.837367 0.625000 Mg\n0.663072 0.326143 0.125000 Mg\n0.662633 0.325266 0.625000 Mg\n0.663072 0.836928 0.125000 Mg\n0.662633 0.837367 0.625000 Mg\n0.355007 0.144993 0.371794 Mg\n0.355007 0.144993 0.878206 Mg\n0.355007 0.710015 0.371794 Mg\n0.355007 0.710015 0.878206 Mg\n0.789985 0.144993 0.371794 Mg\n0.789985 0.144993 0.878206 Mg\n0.833333 0.666667 0.374883 Mg\n0.833333 0.666667 0.875117 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg"
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"chemical_system": "Cs-Mg-Rb",
"density": 2.037310253777709,
"density_atomic": 0.03513933182238252,
"volume": 455.33022884085017,
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"formula_full": "Cs1 Rb1 Mg14",
"formula_reduced": "CsRbMg14",
"formula_anonymous": "ABC14",
"energy": -20.02659671,
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"updated_at": "2021-11-28T01:36:38.250000Z",
"spacegroup": 187
},
{
"id": "mp-1186872",
"created_at": "2022-09-04T14:44:18.371135Z",
"structure_string": "Rb3 Tb1\n1.0\n0.000000 5.134150 5.134150\n5.134150 0.000000 5.134150\n5.134150 5.134150 0.000000\nRb Tb\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tb\n",
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"elements": [
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"density": 2.548035286432636,
"density_atomic": 0.01477829518100736,
"volume": 270.66721506149673,
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"formula_full": "Rb3 Tb1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:37.832000Z",
"spacegroup": 225
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{
"id": "mp-1097474",
"created_at": "2022-09-04T14:48:09.542143Z",
"structure_string": "Na1 Cd2 Pd1\n1.0\n-5.672306 6.303934 8.884941\n5.672306 -6.303934 8.884941\n5.672306 6.303934 -8.884941\nNa Cd Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.269339 0.269339 Cd\n0.000000 0.730661 0.730661 Cd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Cd",
"Pd"
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"chemical_system": "Cd-Na-Pd",
"density": 0.4628611789633185,
"density_atomic": 0.0031475609075781496,
"volume": 1270.8252889942482,
"volume_molar": 191.32721929227606,
"formula_full": "Na1 Cd2 Pd1",
"formula_reduced": "NaCd2Pd",
"formula_anonymous": "ABC2",
"energy": -5.00708211,
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"updated_at": "2021-11-28T01:38:29.735000Z",
"spacegroup": 71
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{
"id": "mp-1095928",
"created_at": "2022-09-04T14:41:01.374314Z",
"structure_string": "In2 Ga1 Hg1\n1.0\n-5.766367 6.009294 8.509610\n5.766367 -6.009294 8.509610\n5.766367 6.009294 -8.509610\nIn Ga Hg\n2 1 1\ndirect\n0.000000 0.236442 0.236442 In\n0.000000 0.763558 0.763558 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"Hg"
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"density": 0.70384887689947,
"density_atomic": 0.003391287520864182,
"volume": 1179.4930318915287,
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"formula_full": "In2 Ga1 Hg1",
"formula_reduced": "In2GaHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:58.055000Z",
"spacegroup": 71
},
{
"id": "mp-973778",
"created_at": "2022-09-04T14:46:10.165334Z",
"structure_string": "Hg3 F1\n1.0\n0.000000 3.512298 3.512298\n3.512298 0.000000 3.512298\n3.512298 3.512298 0.000000\nHg F\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 F\n",
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"volume": 86.65708277680281,
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"formula_full": "Hg3 F1",
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"energy": -5.01241584,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.722000Z",
"spacegroup": 225
},
{
"id": "mp-975057",
"created_at": "2022-09-04T14:41:52.479792Z",
"structure_string": "Rb3 Dy1\n1.0\n6.394361 0.000000 0.000000\n0.000000 6.394361 0.000000\n0.000000 0.000000 6.394361\nRb Dy\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
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"density": 2.6605506384596986,
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"volume": 261.45169002845245,
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"formula_full": "Rb3 Dy1",
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"updated_at": "2021-11-28T01:35:34.916000Z",
"spacegroup": 221
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{
"id": "mp-1039443",
"created_at": "2022-09-04T14:48:22.839849Z",
"structure_string": "Mg3 Cd3\n1.0\n1.561932 -2.705345 0.000000\n1.561932 2.705345 0.000000\n0.000000 0.000000 16.093345\nMg Cd\n3 3\ndirect\n0.666667 0.333333 0.667887 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.332113 Mg\n0.666667 0.333333 0.000000 Cd\n0.000000 0.000000 0.831977 Cd\n0.000000 0.000000 0.168023 Cd\n",
"nsites": 6,
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"elements": [
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"density": 5.007588106881167,
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"volume": 136.00694836541572,
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"formula_full": "Mg3 Cd3",
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"energy": -7.52059079,
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"updated_at": "2021-11-28T01:39:11.113000Z",
"spacegroup": 187
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{
"id": "mp-1186031",
"created_at": "2022-09-04T14:41:55.649478Z",
"structure_string": "Na3 Cd1\n1.0\n-2.423068 2.423068 5.182185\n2.423068 -2.423068 5.182185\n2.423068 2.423068 -5.182185\nNa Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cd\n",
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"updated_at": "2021-11-28T01:35:29.805000Z",
"spacegroup": 139
},
{
"id": "mp-1022659",
"created_at": "2022-09-04T14:42:57.063922Z",
"structure_string": "Rb2 Mg12 Zn2\n1.0\n5.217537 0.000000 0.000000\n0.000000 7.041058 0.000000\n0.000000 0.000000 11.736735\nRb Mg Zn\n2 12 2\ndirect\n0.500000 0.000000 0.669903 Rb\n0.500000 0.500000 0.169903 Rb\n0.000000 0.718694 0.569225 Mg\n0.000000 0.281306 0.569225 Mg\n0.000000 0.000000 0.334381 Mg\n0.500000 0.741012 0.417485 Mg\n0.500000 0.258988 0.417485 Mg\n0.500000 0.000000 0.162948 Mg\n0.000000 0.218694 0.069225 Mg\n0.000000 0.781306 0.069225 Mg\n0.000000 0.500000 0.834381 Mg\n0.500000 0.241012 0.917485 Mg\n0.500000 0.758988 0.917485 Mg\n0.500000 0.500000 0.662948 Mg\n0.000000 0.000000 0.859348 Zn\n0.000000 0.500000 0.359348 Zn\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.2853663821978967,
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"volume": 431.17220640310353,
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"formula_full": "Rb2 Mg12 Zn2",
"formula_reduced": "RbMg6Zn",
"formula_anonymous": "ABC6",
"energy": -20.05818778,
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"updated_at": "2021-11-28T01:35:58.104000Z",
"spacegroup": 38
}
]
}