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{
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{
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{
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{
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"structure_string": "V20 O36\n1.0\n7.117837 0.000000 0.000000\n2.844920 8.043152 0.000000\n3.529166 1.957393 10.446567\nV O\n20 36\ndirect\n0.326025 0.421478 0.611409 V\n0.317523 0.426294 0.116239 V\n0.682477 0.573706 0.883761 V\n0.352260 0.787108 0.571345 V\n0.175696 0.584967 0.390114 V\n0.168568 0.203792 0.920587 V\n0.823652 0.422153 0.110119 V\n0.161277 0.196721 0.430737 V\n0.176348 0.577847 0.889881 V\n0.349255 0.790619 0.068373 V\n0.650745 0.209381 0.931627 V\n0.824304 0.415033 0.609886 V\n0.673975 0.578522 0.388591 V\n0.000390 0.004977 0.245613 V\n0.495909 0.001365 0.251134 V\n0.838723 0.803279 0.569263 V\n0.647740 0.212892 0.428655 V\n0.504091 0.998635 0.748866 V\n0.999610 0.995023 0.754387 V\n0.831432 0.796208 0.079413 V\n0.539600 0.540801 0.592102 O\n0.460984 0.137208 0.374457 O\n0.188132 0.752247 0.763749 O\n0.146153 0.679916 0.542794 O\n0.804526 0.918066 0.705868 O\n0.800626 0.578423 0.718006 O\n0.488176 0.806615 0.389390 O\n0.186785 0.759159 0.262536 O\n0.150122 0.023786 0.563499 O\n0.132860 0.368128 0.042158 O\n0.801890 0.590085 0.205846 O\n0.460400 0.459199 0.407898 O\n0.853847 0.320084 0.457206 O\n0.813215 0.240841 0.737464 O\n0.199374 0.421577 0.281994 O\n0.853752 0.968811 0.940036 O\n0.198110 0.409915 0.794154 O\n0.152298 0.673219 0.045116 O\n0.464015 0.461497 0.908294 O\n0.867140 0.631872 0.957842 O\n0.811868 0.247753 0.236251 O\n0.146248 0.031189 0.059964 O\n0.529100 0.873247 0.124351 O\n0.871852 0.632684 0.460812 O\n0.847702 0.326781 0.954884 O\n0.504984 0.205901 0.110991 O\n0.128148 0.367316 0.539188 O\n0.201421 0.076218 0.792994 O\n0.535985 0.538503 0.091706 O\n0.539016 0.862792 0.625543 O\n0.849878 0.976214 0.436501 O\n0.495016 0.794099 0.889009 O\n0.511824 0.193385 0.610610 O\n0.470900 0.126753 0.875649 O\n0.798579 0.923782 0.207006 O\n0.195474 0.081934 0.294132 O\n",
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{
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"structure_string": "La1 Mg7\n1.0\n3.377941 -5.850766 0.000000\n3.377941 5.850766 0.000000\n0.000000 0.000000 5.218450\nLa Mg\n1 7\ndirect\n0.666667 0.333333 0.500000 La\n0.162397 0.324795 0.500000 Mg\n0.675205 0.837603 0.500000 Mg\n0.162397 0.837603 0.500000 Mg\n0.838935 0.161065 0.000000 Mg\n0.322131 0.161065 0.000000 Mg\n0.838935 0.677869 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
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{
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{
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{
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"formula_full": "Nb13 Fe13",
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},
{
"id": "mp-30369",
"created_at": "2022-09-04T14:44:28.888647Z",
"structure_string": "Ca56 Au24\n1.0\n6.726502 0.000000 0.000000\n0.000000 18.107140 0.000000\n0.000000 0.000000 20.812552\nCa Au\n56 24\ndirect\n0.043268 0.814592 0.216824 Ca\n0.543268 0.185408 0.283176 Ca\n0.456732 0.314592 0.783176 Ca\n0.956732 0.685408 0.716824 Ca\n0.956732 0.185408 0.783176 Ca\n0.456732 0.814592 0.716824 Ca\n0.543268 0.685408 0.216824 Ca\n0.043268 0.314592 0.283176 Ca\n0.052241 0.811162 0.029962 Ca\n0.552241 0.188838 0.470038 Ca\n0.447759 0.311162 0.970038 Ca\n0.947759 0.688838 0.529962 Ca\n0.947759 0.188838 0.970038 Ca\n0.447759 0.811162 0.529962 Ca\n0.552241 0.688838 0.029962 Ca\n0.052241 0.311162 0.470038 Ca\n0.544690 0.874881 0.124908 Ca\n0.044690 0.125119 0.375092 Ca\n0.955310 0.374881 0.875092 Ca\n0.455310 0.625119 0.624908 Ca\n0.455310 0.125119 0.875092 Ca\n0.955310 0.874881 0.624908 Ca\n0.044690 0.625119 0.124908 Ca\n0.544690 0.374881 0.375092 Ca\n0.751839 0.788733 0.373894 Ca\n0.251839 0.211267 0.126106 Ca\n0.748161 0.288733 0.626106 Ca\n0.248161 0.711267 0.873894 Ca\n0.248161 0.211267 0.626106 Ca\n0.748161 0.788733 0.873894 Ca\n0.251839 0.711267 0.373894 Ca\n0.751839 0.288733 0.126106 Ca\n0.730183 0.978915 0.282693 Ca\n0.230183 0.021085 0.217307 Ca\n0.769817 0.478915 0.717307 Ca\n0.269817 0.521085 0.782693 Ca\n0.269817 0.021085 0.717307 Ca\n0.769817 0.978915 0.782693 Ca\n0.230183 0.521085 0.282693 Ca\n0.730183 0.478915 0.217307 Ca\n0.749139 0.979170 0.472063 Ca\n0.249139 0.020830 0.027937 Ca\n0.750861 0.479170 0.527937 Ca\n0.250861 0.520830 0.972063 Ca\n0.250861 0.020830 0.527937 Ca\n0.750861 0.979170 0.972063 Ca\n0.249139 0.520830 0.472063 Ca\n0.749139 0.479170 0.027937 Ca\n0.245573 0.917158 0.372973 Ca\n0.745573 0.082842 0.127027 Ca\n0.254427 0.417158 0.627027 Ca\n0.754427 0.582842 0.872973 Ca\n0.754427 0.082842 0.627027 Ca\n0.254427 0.917158 0.872973 Ca\n0.745573 0.582842 0.372973 Ca\n0.245573 0.417158 0.127027 Ca\n0.967138 0.939733 0.119306 Au\n0.467138 0.060267 0.380694 Au\n0.532862 0.439733 0.880694 Au\n0.032862 0.560267 0.619306 Au\n0.032862 0.060267 0.880694 Au\n0.532862 0.939733 0.619306 Au\n0.467138 0.560267 0.119306 Au\n0.967138 0.439733 0.380694 Au\n0.468961 0.840842 0.267742 Au\n0.968961 0.159158 0.232258 Au\n0.031039 0.340842 0.732258 Au\n0.531039 0.659158 0.767742 Au\n0.531039 0.159158 0.732258 Au\n0.031039 0.840842 0.767742 Au\n0.968961 0.659158 0.267742 Au\n0.468961 0.340842 0.232258 Au\n0.027866 0.845273 0.480791 Au\n0.527866 0.154727 0.019209 Au\n0.472134 0.345273 0.519209 Au\n0.972134 0.654727 0.980791 Au\n0.972134 0.154727 0.519209 Au\n0.472134 0.845273 0.980791 Au\n0.527866 0.654727 0.480791 Au\n0.027866 0.345273 0.019209 Au\n",
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"elements": [
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"Au"
],
"chemical_system": "Au-Ca",
"density": 4.56683108163218,
"density_atomic": 0.03155916586578143,
"volume": 2534.9212441239256,
"volume_molar": 19.082065684535753,
"formula_full": "Ca56 Au24",
"formula_reduced": "Ca7Au3",
"formula_anonymous": "A3B7",
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"updated_at": "2021-11-28T01:36:43.271000Z",
"spacegroup": 61
}
]
}