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{
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{
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{
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{
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"created_at": "2022-09-04T14:45:28.228629Z",
"structure_string": "Y4 Se4 F4\n1.0\n5.739273 0.000000 0.000000\n0.000000 5.808008 0.000000\n0.000000 0.000000 7.719678\nY Se F\n4 4 4\ndirect\n0.250000 0.872302 0.817653 Y\n0.750000 0.372302 0.682347 Y\n0.750000 0.127698 0.182347 Y\n0.250000 0.627698 0.317653 Y\n0.750000 0.618626 0.330009 Se\n0.250000 0.118626 0.169991 Se\n0.750000 0.881374 0.830009 Se\n0.250000 0.381374 0.669991 Se\n0.250000 0.866784 0.536138 F\n0.250000 0.633216 0.036138 F\n0.750000 0.133216 0.463862 F\n0.750000 0.366784 0.963862 F\n",
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{
"id": "mp-756508",
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"structure_string": "Nb2 P2 H2 O10\n1.0\n5.450833 -0.018855 0.007846\n-2.136175 7.425779 0.003793\n-0.707449 -2.077305 4.898190\nNb P H O\n2 2 2 10\ndirect\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.351778 0.228232 0.671937 P\n0.648222 0.771768 0.328063 P\n0.023047 0.333923 0.363026 H\n0.976953 0.666077 0.636974 H\n0.031137 0.718400 0.839284 O\n0.199741 0.375731 0.721359 O\n0.352317 0.658957 0.276788 O\n0.247272 0.076945 0.376057 O\n0.311080 0.121793 0.870886 O\n0.688920 0.878207 0.129114 O\n0.752728 0.923055 0.623943 O\n0.647683 0.341043 0.723212 O\n0.800259 0.624269 0.278641 O\n0.968863 0.281600 0.160716 O\n",
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{
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"structure_string": "Si8 Ag20 O26\n1.0\n8.112055 0.000000 0.000000\n-1.722386 9.225512 0.000000\n-1.689428 -5.004089 10.329754\nSi Ag O\n8 20 26\ndirect\n0.778862 0.909878 0.755427 Si\n0.221138 0.090122 0.244573 Si\n0.267957 0.429369 0.245023 Si\n0.557300 0.983796 0.250324 Si\n0.916658 0.520969 0.251322 Si\n0.732043 0.570631 0.754977 Si\n0.442700 0.016204 0.749676 Si\n0.083342 0.479031 0.748678 Si\n0.110754 0.310486 0.641639 Ag\n0.159128 0.575961 0.916636 Ag\n0.576630 0.802048 0.161011 Ag\n0.334066 0.506064 0.432728 Ag\n0.213822 0.030981 0.070146 Ag\n0.150827 0.874246 0.928603 Ag\n0.320200 0.939958 0.569513 Ag\n0.849173 0.125754 0.071397 Ag\n0.840872 0.424039 0.083364 Ag\n0.679800 0.060042 0.430487 Ag\n0.786178 0.969019 0.929854 Ag\n0.985994 0.960261 0.429050 Ag\n0.560932 0.563801 0.083988 Ag\n0.439068 0.436199 0.916012 Ag\n0.632934 0.341214 0.447991 Ag\n0.423370 0.197952 0.838989 Ag\n0.665934 0.493936 0.567272 Ag\n0.889246 0.689514 0.358361 Ag\n0.014006 0.039739 0.570950 Ag\n0.367066 0.658786 0.552009 Ag\n0.594735 0.750070 0.613225 O\n0.620050 0.203278 0.114449 O\n0.724550 0.827808 0.377074 O\n0.356353 0.646746 0.123414 O\n0.830669 0.732447 0.763454 O\n0.883858 0.798831 0.890203 O\n0.185833 0.210032 0.879321 O\n0.275450 0.172192 0.622926 O\n0.643647 0.353254 0.876586 O\n0.405265 0.249930 0.386775 O\n0.433326 0.101293 0.254897 O\n0.169331 0.267553 0.236546 O\n0.116142 0.201169 0.109797 O\n0.814167 0.789968 0.120679 O\n0.174641 0.820363 0.373137 O\n0.825359 0.179637 0.626863 O\n0.183421 0.669036 0.734652 O\n0.561738 0.188614 0.743884 O\n0.933561 0.429240 0.380387 O\n0.112868 0.545162 0.231758 O\n0.887132 0.454838 0.768242 O\n0.379950 0.796722 0.885551 O\n0.066439 0.570760 0.619613 O\n0.816579 0.330964 0.265348 O\n0.438262 0.811386 0.256116 O\n0.566674 0.898707 0.745103 O\n",
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],
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"density": 4.014675540515958,
"density_atomic": 0.06917401252045734,
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"formula_full": "Ba4 Cu8 P8 O32",
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"updated_at": "2021-11-28T01:37:02.798000Z",
"spacegroup": 2
},
{
"id": "mp-1095979",
"created_at": "2022-09-04T14:45:28.346116Z",
"structure_string": "Li2 Cd1 Bi1\n1.0\n-5.645826 5.784125 8.163333\n5.645826 -5.784125 8.163333\n5.645826 5.784125 -8.163333\nLi Cd Bi\n2 1 1\ndirect\n0.000000 0.257360 0.257360 Li\n0.000000 0.742640 0.742640 Li\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n",
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],
"chemical_system": "Bi-Cd-Li",
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"density_atomic": 0.003751175023405821,
"volume": 1066.332542481119,
"volume_molar": 160.54011669474946,
"formula_full": "Li2 Cd1 Bi1",
"formula_reduced": "Li2CdBi",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:58.930000Z",
"spacegroup": 71
},
{
"id": "mp-1206469",
"created_at": "2022-09-04T14:45:28.869606Z",
"structure_string": "Tm4 Fe3 Ge4\n1.0\n-3.263634 0.000000 0.000000\n0.000000 -9.033032 0.000000\n1.631817 4.516516 7.294291\nTm Fe Ge\n4 3 4\ndirect\n0.348277 0.030977 0.696554 Tm\n0.651723 0.969023 0.303446 Tm\n0.348277 0.665577 0.696554 Tm\n0.651723 0.334423 0.303446 Tm\n0.898594 0.398594 0.797189 Fe\n0.101406 0.601406 0.202811 Fe\n0.000000 0.000000 0.000000 Fe\n0.274320 0.274320 0.548639 Ge\n0.725680 0.725680 0.451361 Ge\n0.500000 0.359410 0.000000 Ge\n0.500000 0.640590 0.000000 Ge\n",
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],
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"formula_full": "Tm4 Fe3 Ge4",
"formula_reduced": "Tm4Fe3Ge4",
"formula_anonymous": "A3B4C4",
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}
]
}