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{
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{
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{
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{
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"structure_string": "Yb3 Co9\n1.0\n8.143031 -2.489664 0.000000\n8.143031 2.489664 0.000000\n7.381836 0.000000 4.244511\nYb Co\n3 9\ndirect\n0.858442 0.858442 0.858442 Yb\n0.141558 0.141558 0.141558 Yb\n0.000000 0.000000 0.000000 Yb\n0.417286 0.920298 0.417286 Co\n0.417286 0.417286 0.920298 Co\n0.920298 0.417286 0.417286 Co\n0.582714 0.079702 0.582714 Co\n0.582714 0.582714 0.079702 Co\n0.079702 0.582714 0.582714 Co\n0.665818 0.665818 0.665818 Co\n0.334182 0.334182 0.334182 Co\n0.500000 0.500000 0.500000 Co\n",
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{
"id": "mp-1186568",
"created_at": "2022-09-04T14:44:41.760762Z",
"structure_string": "Pm2 Er6\n1.0\n3.600133 -6.235614 0.000000\n3.600133 6.235614 0.000000\n0.000000 0.000000 5.695687\nPm Er\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n0.834937 0.165063 0.750000 Er\n0.330126 0.165063 0.750000 Er\n0.834937 0.669874 0.750000 Er\n0.165063 0.834937 0.250000 Er\n0.669874 0.834937 0.250000 Er\n0.165063 0.330126 0.250000 Er\n",
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{
"id": "mp-568623",
"created_at": "2022-09-04T14:44:41.519170Z",
"structure_string": "Sc88 Os14\n1.0\n0.000000 10.384637 10.384637\n10.384637 0.000000 10.384637\n10.384637 10.384637 0.000000\nSc Os\n88 14\ndirect\n0.997877 0.424878 0.788623 Sc\n0.508841 0.163720 0.163720 Sc\n0.879156 0.514555 0.091735 Sc\n0.643067 0.856933 0.643067 Sc\n0.856933 0.643067 0.856933 Sc\n0.308953 0.308953 0.073140 Sc\n0.514555 0.879156 0.514555 Sc\n0.997877 0.788623 0.788623 Sc\n0.879156 0.091735 0.514555 Sc\n0.021508 0.021508 0.298178 Sc\n0.537089 0.284760 0.893391 Sc\n0.440523 0.440523 0.440523 Sc\n0.298178 0.021508 0.658806 Sc\n0.021508 0.658806 0.298178 Sc\n0.284760 0.537089 0.893391 Sc\n0.663391 0.663391 0.223150 Sc\n0.810732 0.189268 0.189268 Sc\n0.788623 0.997877 0.424878 Sc\n0.440523 0.440523 0.678432 Sc\n0.223150 0.663391 0.663391 Sc\n0.658806 0.021508 0.021508 Sc\n0.658806 0.298178 0.021508 Sc\n0.514555 0.091735 0.514555 Sc\n0.163720 0.163720 0.163720 Sc\n0.189268 0.189268 0.810732 Sc\n0.021508 0.658806 0.021508 Sc\n0.810732 0.810732 0.189268 Sc\n0.788623 0.788623 0.997877 Sc\n0.643067 0.643067 0.856933 Sc\n0.893391 0.537089 0.284760 Sc\n0.856933 0.856933 0.643067 Sc\n0.284760 0.893391 0.284760 Sc\n0.284760 0.284760 0.537089 Sc\n0.073140 0.308953 0.308953 Sc\n0.091735 0.879156 0.514555 Sc\n0.788623 0.424878 0.788623 Sc\n0.514555 0.514555 0.091735 Sc\n0.450067 0.223150 0.663391 Sc\n0.189268 0.810732 0.810732 Sc\n0.021508 0.298178 0.021508 Sc\n0.514555 0.514555 0.879156 Sc\n0.788623 0.788623 0.424878 Sc\n0.056963 0.056963 0.829111 Sc\n0.223150 0.663391 0.450067 Sc\n0.091735 0.514555 0.879156 Sc\n0.678432 0.440523 0.440523 Sc\n0.450067 0.663391 0.223150 Sc\n0.284760 0.537089 0.284760 Sc\n0.424878 0.788623 0.788623 Sc\n0.308953 0.073140 0.308953 Sc\n0.424878 0.788623 0.997877 Sc\n0.424878 0.997877 0.788623 Sc\n0.091735 0.514555 0.514555 Sc\n0.893391 0.284760 0.537089 Sc\n0.663391 0.450067 0.663391 Sc\n0.537089 0.284760 0.284760 Sc\n0.514555 0.879156 0.091735 Sc\n0.163720 0.508841 0.163720 Sc\n0.643067 0.856933 0.856933 Sc\n0.893391 0.284760 0.284760 Sc\n0.021508 0.021508 0.658806 Sc\n0.663391 0.223150 0.663391 Sc\n0.810732 0.189268 0.810732 Sc\n0.663391 0.223150 0.450067 Sc\n0.537089 0.893391 0.284760 Sc\n0.056963 0.829111 0.056963 Sc\n0.440523 0.678432 0.440523 Sc\n0.879156 0.514555 0.514555 Sc\n0.663391 0.663391 0.450067 Sc\n0.056963 0.056963 0.056963 Sc\n0.189268 0.810732 0.189268 Sc\n0.298178 0.658806 0.021508 Sc\n0.829111 0.056963 0.056963 Sc\n0.450067 0.663391 0.663391 Sc\n0.284760 0.284760 0.893391 Sc\n0.223150 0.450067 0.663391 Sc\n0.284760 0.893391 0.537089 Sc\n0.788623 0.997877 0.788623 Sc\n0.788623 0.424878 0.997877 Sc\n0.514555 0.091735 0.879156 Sc\n0.658806 0.021508 0.298178 Sc\n0.021508 0.298178 0.658806 Sc\n0.663391 0.450067 0.223150 Sc\n0.298178 0.021508 0.021508 Sc\n0.163720 0.163720 0.508841 Sc\n0.997877 0.788623 0.424878 Sc\n0.308953 0.308953 0.308953 Sc\n0.856933 0.643067 0.643067 Sc\n0.090331 0.090331 0.409669 Os\n0.918918 0.243247 0.918918 Os\n0.090331 0.409669 0.409669 Os\n0.409669 0.409669 0.090331 Os\n0.918918 0.918918 0.243247 Os\n0.650439 0.650439 0.048683 Os\n0.650439 0.048683 0.650439 Os\n0.090331 0.409669 0.090331 Os\n0.048683 0.650439 0.650439 Os\n0.243247 0.918918 0.918918 Os\n0.650439 0.650439 0.650439 Os\n0.409669 0.090331 0.090331 Os\n0.409669 0.090331 0.409669 Os\n0.918918 0.918918 0.918918 Os\n",
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{
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"structure_string": "Eu2 B4 Ir4\n1.0\n0.000000 4.696746 5.365644\n3.031762 0.000000 5.365644\n3.031762 4.696746 0.000000\nEu B Ir\n2 4 4\ndirect\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Eu\n0.073230 0.426770 0.073230 B\n0.823230 0.176770 0.823230 B\n0.426770 0.073230 0.426770 B\n0.176770 0.823230 0.176770 B\n0.380461 0.380461 0.119539 Ir\n0.130461 0.130461 0.869539 Ir\n0.869539 0.869539 0.130461 Ir\n0.119539 0.119539 0.380461 Ir\n",
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{
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{
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"structure_string": "Li2 Cu10 P6 O26\n1.0\n6.247857 0.000000 0.000000\n-0.051529 8.242211 0.000000\n-0.040045 -0.406561 9.897833\nLi Cu P O\n2 10 6 26\ndirect\n0.750826 0.566842 0.544669 Li\n0.249174 0.433158 0.455331 Li\n0.498603 0.860851 0.214819 Cu\n0.256837 0.567712 0.102567 Cu\n0.995514 0.859784 0.216084 Cu\n0.004486 0.140216 0.783916 Cu\n0.501397 0.139149 0.785181 Cu\n0.748831 0.221457 0.455386 Cu\n0.743163 0.432288 0.897433 Cu\n0.251169 0.778543 0.544614 Cu\n0.254945 0.854259 0.920722 Cu\n0.745055 0.145741 0.079278 Cu\n0.252723 0.486400 0.769041 P\n0.249781 0.131966 0.507816 P\n0.749313 0.841775 0.886060 P\n0.250687 0.158225 0.113940 P\n0.747277 0.513600 0.230959 P\n0.750219 0.868034 0.492184 P\n0.757412 0.200147 0.884004 O\n0.543162 0.901380 0.812652 O\n0.758411 0.658228 0.879381 O\n0.745412 0.908624 0.036659 O\n0.748697 0.385406 0.111186 O\n0.952571 0.622623 0.219890 O\n0.251303 0.614594 0.888814 O\n0.249472 0.092315 0.663514 O\n0.750528 0.907685 0.336486 O\n0.058197 0.241670 0.473229 O\n0.045060 0.091611 0.184876 O\n0.251786 0.965488 0.430295 O\n0.558824 0.755529 0.524367 O\n0.242588 0.799853 0.115996 O\n0.540108 0.618371 0.220471 O\n0.249387 0.563975 0.628546 O\n0.941803 0.758330 0.526771 O\n0.748214 0.034512 0.569705 O\n0.241589 0.341772 0.120619 O\n0.047429 0.377377 0.780110 O\n0.954940 0.908389 0.815124 O\n0.750613 0.436025 0.371454 O\n0.459892 0.381629 0.779529 O\n0.254588 0.091376 0.963341 O\n0.456838 0.098620 0.187348 O\n0.441176 0.244471 0.475633 O\n",
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"elements": [
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],
"chemical_system": "Cu-Li-O-P",
"density": 4.076149761850104,
"density_atomic": 0.08632523024716841,
"volume": 509.70034917970304,
"volume_molar": 6.976107382230278,
"formula_full": "Li2 Cu10 P6 O26",
"formula_reduced": "LiCu5P3O13",
"formula_anonymous": "AB3C5D13",
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"energy_per_atom": -6.545218092727273,
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"formation_energy": null,
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"energy_uncorrected": -270.12759608,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.441000Z",
"spacegroup": 2
},
{
"id": "mp-1184083",
"created_at": "2022-09-04T14:44:41.427792Z",
"structure_string": "Er2 Zn1 Ag1\n1.0\n0.000000 3.576807 3.576807\n3.576807 0.000000 3.576807\n3.576807 3.576807 0.000000\nEr Zn Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ag\n",
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"elements": [
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],
"chemical_system": "Ag-Er-Zn",
"density": 9.213426439007005,
"density_atomic": 0.04370624292374565,
"volume": 91.52010633764166,
"volume_molar": 13.778674068386156,
"formula_full": "Er2 Zn1 Ag1",
"formula_reduced": "Er2ZnAg",
"formula_anonymous": "ABC2",
"energy": -14.58375827,
"energy_per_atom": -3.6459395675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -14.58375827,
"band_gap": 0.0,
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"total_magnetization": 0.0031162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.439000Z",
"spacegroup": 225
},
{
"id": "mp-12008",
"created_at": "2022-09-04T14:44:42.505262Z",
"structure_string": "Er1 Cd1 Cu4\n1.0\n0.000000 3.592881 3.592881\n3.592881 0.000000 3.592881\n3.592881 3.592881 0.000000\nEr Cd Cu\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Cd\n0.374392 0.876823 0.374392 Cu\n0.374392 0.374392 0.374392 Cu\n0.876823 0.374392 0.374392 Cu\n0.374392 0.374392 0.876823 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Er",
"density": 9.556813336211563,
"density_atomic": 0.06468338738411643,
"volume": 92.75952052989348,
"volume_molar": 9.310181491018806,
"formula_full": "Er1 Cd1 Cu4",
"formula_reduced": "ErCdCu4",
"formula_anonymous": "ABC4",
"energy": -23.39003933,
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"energy_uncorrected": -23.39003933,
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"total_magnetization": 0.0009641,
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"updated_at": "2021-11-28T01:36:41.132000Z",
"spacegroup": 216
}
]
}