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{
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"results": [
{
"id": "mp-1174621",
"created_at": "2022-09-04T14:39:28.563514Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.032551 0.000000 0.000000\n0.836965 6.542370 0.000000\n1.780037 0.291416 7.542407\nLi Mn Co O\n8 2 4 14\ndirect\n0.922335 0.147411 0.638393 Li\n0.651229 0.704648 0.225853 Li\n0.502291 0.993473 0.499276 Li\n0.228282 0.569360 0.071134 Li\n0.061200 0.851773 0.364745 Li\n0.783165 0.433528 0.924721 Li\n0.365504 0.294425 0.776840 Li\n0.713987 0.576544 0.575880 Li\n0.998705 0.998389 0.000187 Mn\n0.145167 0.711709 0.710680 Mn\n0.419133 0.145212 0.149721 Co\n0.843208 0.291881 0.298029 Co\n0.570848 0.855793 0.855436 Co\n0.275393 0.439991 0.426968 Co\n0.251985 0.980300 0.765366 O\n0.983880 0.555875 0.319110 O\n0.831438 0.851703 0.629614 O\n0.542324 0.419014 0.179304 O\n0.374241 0.712433 0.478665 O\n0.099728 0.261193 0.039646 O\n0.682830 0.120860 0.905827 O\n0.606462 0.284300 0.519061 O\n0.310320 0.869855 0.087083 O\n0.188336 0.146908 0.381023 O\n0.887877 0.735865 0.949030 O\n0.759818 0.001814 0.231516 O\n0.447301 0.598441 0.817898 O\n0.053015 0.447302 0.678993 O\n",
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],
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "mp-560077",
"created_at": "2022-09-04T14:39:28.476226Z",
"structure_string": "As4 S4 Xe8 O12 F36\n1.0\n9.046196 0.000000 0.000000\n0.000000 11.465133 0.000000\n0.000000 11.189110 11.958925\nAs S Xe O F\n4 4 8 12 36\ndirect\n0.188332 0.744730 0.562312 As\n0.311668 0.744730 0.062312 As\n0.811668 0.255270 0.437688 As\n0.688332 0.255270 0.937688 As\n0.906631 0.824151 0.268515 S\n0.093369 0.175849 0.731485 S\n0.406631 0.175849 0.231485 S\n0.593369 0.824151 0.768515 S\n0.417915 0.830010 0.292212 Xe\n0.082085 0.830010 0.792212 Xe\n0.824096 0.739760 0.113185 Xe\n0.917915 0.169990 0.207788 Xe\n0.175904 0.260240 0.886815 Xe\n0.582085 0.169990 0.707788 Xe\n0.675904 0.739760 0.613185 Xe\n0.324096 0.260240 0.386815 Xe\n0.456469 0.878779 0.710146 O\n0.788432 0.773769 0.233983 O\n0.669775 0.924770 0.782862 O\n0.211568 0.226231 0.766017 O\n0.543531 0.121221 0.289854 O\n0.956469 0.121221 0.789854 O\n0.830225 0.924770 0.282862 O\n0.330225 0.075230 0.217138 O\n0.169775 0.075230 0.717138 O\n0.288432 0.226231 0.266017 O\n0.711568 0.773769 0.733983 O\n0.043531 0.878779 0.210146 O\n0.436124 0.334219 0.107180 F\n0.658910 0.710644 0.505268 F\n0.616111 0.124862 0.924614 F\n0.263016 0.617303 0.547509 F\n0.763016 0.382697 0.952491 F\n0.883889 0.124862 0.424614 F\n0.343978 0.875005 0.487615 F\n0.034302 0.615707 0.635445 F\n0.534302 0.384293 0.864555 F\n0.236984 0.617303 0.047509 F\n0.906781 0.145187 0.567157 F\n0.593219 0.145187 0.067157 F\n0.383889 0.875138 0.075386 F\n0.156022 0.875005 0.987615 F\n0.116111 0.875138 0.575386 F\n0.965698 0.384293 0.364555 F\n0.841090 0.710644 0.005268 F\n0.285748 0.638791 0.689918 F\n0.214252 0.638791 0.189918 F\n0.063876 0.334219 0.607180 F\n0.514868 0.384146 0.645862 F\n0.785748 0.361209 0.810082 F\n0.656022 0.124995 0.512385 F\n0.485132 0.615854 0.354138 F\n0.341090 0.289356 0.494732 F\n0.465698 0.615707 0.135445 F\n0.093219 0.854813 0.432843 F\n0.158910 0.289356 0.994732 F\n0.014868 0.615854 0.854138 F\n0.736984 0.382697 0.452491 F\n0.936124 0.665781 0.392820 F\n0.563876 0.665781 0.892820 F\n0.985132 0.384146 0.145862 F\n0.714252 0.361209 0.310082 F\n0.843978 0.124995 0.012385 F\n0.406781 0.854813 0.932843 F\n",
"nsites": 64,
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"elements": [
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],
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"density_atomic": 0.051599173049168355,
"volume": 1240.3299552691478,
"volume_molar": 11.671002467930176,
"formula_full": "As4 S4 Xe8 O12 F36",
"formula_reduced": "AsSXe2(OF3)3",
"formula_anonymous": "ABC2D3E9",
"energy": -268.87135398,
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"updated_at": "2021-11-28T01:34:38.069000Z",
"spacegroup": 14
},
{
"id": "mp-754165",
"created_at": "2022-09-04T14:39:28.482401Z",
"structure_string": "Sc2 Ga2 O6\n1.0\n1.662790 -2.880037 0.000000\n1.662790 2.880037 0.000000\n0.000000 0.000000 11.864690\nSc Ga O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.083555 O\n0.000000 0.000000 0.250000 O\n0.333333 0.666667 0.416445 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.583555 O\n0.666667 0.333333 0.916445 O\n",
"nsites": 10,
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"elements": [
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"Ga",
"O"
],
"chemical_system": "Ga-O-Sc",
"density": 4.75426827518686,
"density_atomic": 0.08799908119180253,
"volume": 113.6375501262795,
"volume_molar": 6.84341322482011,
"formula_full": "Sc2 Ga2 O6",
"formula_reduced": "ScGaO3",
"formula_anonymous": "ABC3",
"energy": -79.42142936,
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"updated_at": "2021-11-28T01:34:29.791000Z",
"spacegroup": 194
},
{
"id": "mp-1184409",
"created_at": "2022-09-04T14:39:28.534836Z",
"structure_string": "Gd2 Mg1 Cd1\n1.0\n0.000000 3.770631 3.770631\n3.770631 0.000000 3.770631\n3.770631 3.770631 0.000000\nGd Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
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],
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"density": 6.988138307199738,
"density_atomic": 0.03730679102766579,
"volume": 107.21908504630429,
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"formula_full": "Gd2 Mg1 Cd1",
"formula_reduced": "Gd2MgCd",
"formula_anonymous": "ABC2",
"energy": -31.552548,
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"updated_at": "2021-11-28T01:34:28.472000Z",
"spacegroup": 225
},
{
"id": "mp-558669",
"created_at": "2022-09-04T14:39:28.548424Z",
"structure_string": "Sr2 Al4 B4 O14\n1.0\n16.241393 -2.477308 0.000000\n16.241393 2.477308 0.000000\n15.863528 0.000000 4.274152\nSr Al B O\n2 4 4 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.215162 0.215162 0.215162 Al\n0.284838 0.284838 0.284838 Al\n0.784838 0.784838 0.784838 Al\n0.715162 0.715162 0.715162 Al\n0.132573 0.132573 0.132573 B\n0.632573 0.632573 0.632573 B\n0.867427 0.867427 0.867427 B\n0.367427 0.367427 0.367427 B\n0.437447 0.889801 0.074180 O\n0.889801 0.074180 0.437447 O\n0.574180 0.389801 0.937447 O\n0.750000 0.750000 0.750000 O\n0.389801 0.937447 0.574180 O\n0.425820 0.610199 0.062553 O\n0.937447 0.574180 0.389801 O\n0.110199 0.925820 0.562553 O\n0.562553 0.110199 0.925820 O\n0.074180 0.437447 0.889801 O\n0.925820 0.562553 0.110199 O\n0.062553 0.425820 0.610199 O\n0.610199 0.062553 0.425820 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 24,
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"elements": [
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"Al",
"B",
"O"
],
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"density": 2.657331086935389,
"density_atomic": 0.06977952404715203,
"volume": 343.9404370798303,
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"formula_full": "Sr2 Al4 B4 O14",
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},
{
"id": "mp-760946",
"created_at": "2022-09-04T14:39:28.555208Z",
"structure_string": "Cr8 O2 F22\n1.0\n-5.075817 -0.010638 -0.014511\n-2.547777 -4.697033 -0.012524\n2.584097 -0.738017 16.688057\nCr O F\n8 2 22\ndirect\n0.744952 0.643380 0.128831 Cr\n0.773248 0.113058 0.627949 Cr\n0.478653 0.760555 0.745753 Cr\n0.509789 0.231466 0.246371 Cr\n0.252319 0.868853 0.374410 Cr\n0.242414 0.380537 0.874759 Cr\n0.005828 0.495413 0.500914 Cr\n0.994648 0.006449 0.000662 Cr\n0.749046 0.936898 0.187751 O\n0.186882 0.906021 0.656500 O\n0.811709 0.785094 0.033260 F\n0.755717 0.812310 0.563209 F\n0.755554 0.320658 0.064195 F\n0.683605 0.968166 0.718512 F\n0.689411 0.654493 0.407366 F\n0.683996 0.466943 0.217591 F\n0.807002 0.597379 0.839774 F\n0.812927 0.091047 0.342457 F\n0.816336 0.282010 0.533689 F\n0.310525 0.844104 0.094168 F\n0.746603 0.437836 0.688073 F\n0.261262 0.556133 0.310343 F\n0.681583 0.159698 0.906862 F\n0.184459 0.406803 0.156723 F\n0.186446 0.716489 0.467828 F\n0.313119 0.532302 0.781551 F\n0.326086 0.336962 0.593326 F\n0.311960 0.031662 0.281377 F\n0.244014 0.690466 0.938105 F\n0.248692 0.183599 0.437259 F\n0.246572 0.063770 0.812517 F\n0.184640 0.219448 0.967915 F\n",
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"density": 3.6196156366402357,
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"volume": 397.256184215,
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"formula_full": "Cr8 O2 F22",
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{
"id": "mp-1102268",
"created_at": "2022-09-04T14:39:28.558212Z",
"structure_string": "Y4 Si4 Ir4\n1.0\n4.238546 0.000000 0.000000\n0.000000 6.866414 0.000000\n0.000000 0.000000 7.505181\nY Si Ir\n4 4 4\ndirect\n0.250000 0.003845 0.312679 Y\n0.250000 0.503845 0.187321 Y\n0.750000 0.996155 0.687321 Y\n0.750000 0.496155 0.812679 Y\n0.250000 0.297780 0.608777 Si\n0.250000 0.797780 0.891223 Si\n0.750000 0.702220 0.391223 Si\n0.750000 0.202220 0.108777 Si\n0.250000 0.157148 0.933661 Ir\n0.250000 0.657148 0.566339 Ir\n0.750000 0.842852 0.066339 Ir\n0.750000 0.342852 0.433661 Ir\n",
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],
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"formula_full": "Y4 Si4 Ir4",
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"energy": -95.72820629,
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"updated_at": "2021-11-28T01:34:43.053000Z",
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}
]
}