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{
"id": "mp-1204004",
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{
"id": "mp-1202779",
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"structure_string": "Rb2 H24 Au2 C8 S8 O24\n1.0\n9.792668 0.000000 0.000000\n0.000000 9.792668 0.000000\n0.000000 0.000000 9.496489\nRb H Au C S O\n2 24 2 8 8 24\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.581863 0.151247 0.766743 H\n0.081863 0.348753 0.733257 H\n0.418137 0.848753 0.766743 H\n0.918137 0.651247 0.733257 H\n0.848753 0.581863 0.233257 H\n0.651247 0.081863 0.266743 H\n0.151247 0.418137 0.233257 H\n0.348753 0.918137 0.266743 H\n0.578753 0.134606 0.954748 H\n0.078753 0.365394 0.545252 H\n0.421247 0.865394 0.954748 H\n0.921247 0.634606 0.545252 H\n0.865394 0.578753 0.045252 H\n0.634606 0.078753 0.454748 H\n0.134606 0.421247 0.045252 H\n0.365394 0.921247 0.454748 H\n0.659792 0.004032 0.849029 H\n0.159792 0.495968 0.650971 H\n0.340208 0.995968 0.849029 H\n0.840208 0.504032 0.650971 H\n0.995968 0.659792 0.150971 H\n0.504032 0.159792 0.349029 H\n0.004032 0.340208 0.150971 H\n0.495968 0.840208 0.349029 H\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.637327 0.113154 0.858949 C\n0.137327 0.386846 0.641051 C\n0.362673 0.886846 0.858949 C\n0.862673 0.613154 0.641051 C\n0.886846 0.637327 0.141051 C\n0.613154 0.137327 0.358949 C\n0.113154 0.362673 0.141051 C\n0.386846 0.862673 0.358949 C\n0.793625 0.204534 0.867294 S\n0.293625 0.295466 0.632706 S\n0.206375 0.795466 0.867294 S\n0.706375 0.704534 0.632706 S\n0.795466 0.793625 0.132706 S\n0.704534 0.293625 0.367294 S\n0.204534 0.206375 0.132706 S\n0.295466 0.706375 0.367294 S\n0.861713 0.156628 0.008068 O\n0.361713 0.343372 0.491932 O\n0.138287 0.843372 0.008068 O\n0.638287 0.656628 0.491932 O\n0.843372 0.861713 0.991932 O\n0.656628 0.361713 0.508068 O\n0.156628 0.138287 0.991932 O\n0.343372 0.638287 0.508068 O\n0.878023 0.166363 0.748092 O\n0.378023 0.333637 0.751908 O\n0.121977 0.833637 0.748092 O\n0.621977 0.666363 0.751908 O\n0.833637 0.878023 0.251908 O\n0.666363 0.378023 0.248092 O\n0.166363 0.121977 0.251908 O\n0.333637 0.621977 0.248092 O\n0.762203 0.348371 0.886561 O\n0.262203 0.151629 0.613439 O\n0.237797 0.651629 0.886561 O\n0.737797 0.848371 0.613439 O\n0.651629 0.762203 0.113439 O\n0.848371 0.262203 0.386561 O\n0.348371 0.237797 0.113439 O\n0.151629 0.737797 0.386561 O\n",
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"spacegroup": 114
},
{
"id": "mp-1522128",
"created_at": "2022-09-04T14:39:46.585234Z",
"structure_string": "Sr1 Ca1 Tb1 Nb1 O6\n1.0\n0.000000 -4.217702 -4.217702\n4.217702 -0.000000 -4.217702\n4.217702 -4.217702 0.000000\nSr Ca Tb Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 -0.000000 Nb\n0.762499 0.237501 0.237501 O\n0.237501 0.762499 0.762499 O\n0.762499 0.237501 0.762499 O\n0.237501 0.762499 0.237501 O\n0.762499 0.762499 0.237501 O\n0.237501 0.237501 0.762499 O\n",
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"density": 5.262181377190279,
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"volume": 150.05748746648672,
"volume_molar": 9.03667311615119,
"formula_full": "Sr1 Ca1 Tb1 Nb1 O6",
"formula_reduced": "SrCaTbNbO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 216
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{
"id": "mp-554151",
"created_at": "2022-09-04T14:40:24.201908Z",
"structure_string": "Si4 O8\n1.0\n-4.395674 4.395674 2.510795\n4.395674 -4.395674 2.510795\n4.395674 4.395674 -2.510795\nSi O\n4 8\ndirect\n0.591752 0.093867 0.147967 Si\n0.906133 0.054100 0.497885 Si\n0.556216 0.408248 0.502115 Si\n0.945900 0.443784 0.852033 Si\n0.242497 0.811695 0.977196 O\n0.734698 0.757503 0.569198 O\n0.188305 0.165501 0.430802 O\n0.666519 0.365589 0.707606 O\n0.657983 0.958913 0.292394 O\n0.634411 0.342017 0.300930 O\n0.834499 0.265302 0.022804 O\n0.041087 0.333481 0.699070 O\n",
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"formula_full": "Si4 O8",
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{
"id": "mp-1206128",
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"structure_string": "Th2 N2 O1\n1.0\n1.977311 -3.424803 0.000000\n1.977311 3.424803 0.000000\n0.000000 0.000000 6.000536\nTh N O\n2 2 1\ndirect\n0.333333 0.666667 0.253547 Th\n0.666667 0.333333 0.746453 Th\n0.333333 0.666667 0.650851 N\n0.666667 0.333333 0.349149 N\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Mg14 Cu1 Bi1 O16\n1.0\n8.724837 0.000000 0.000000\n0.000000 8.724837 -0.000000\n0.000000 0.000000 4.365377\nMg Cu Bi O\n14 1 1 16\ndirect\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.243302 0.500000 Mg\n-0.000000 0.756698 0.500000 Mg\n0.500000 0.232578 0.500000 Mg\n0.500000 0.767422 0.500000 Mg\n0.243302 0.000000 0.500000 Mg\n0.232578 0.500000 0.500000 Mg\n0.756698 0.000000 0.500000 Mg\n0.767422 0.500000 0.500000 Mg\n0.236844 0.236844 0.000000 Mg\n0.236844 0.763156 -0.000000 Mg\n0.763156 0.236844 0.000000 Mg\n0.763156 0.763156 -0.000000 Mg\n-0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Bi\n0.264582 0.000000 0.000000 O\n0.234840 0.500000 0.000000 O\n0.735418 0.000000 0.000000 O\n0.765160 0.500000 -0.000000 O\n0.251341 0.251341 0.500000 O\n0.251341 0.748659 0.500000 O\n0.748659 0.251341 0.500000 O\n0.748659 0.748659 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.264582 -0.000000 O\n-0.000000 0.735418 0.000000 O\n0.500000 0.234840 -0.000000 O\n0.500000 0.765160 0.000000 O\n",
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{
"id": "mp-1039633",
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{
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