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{
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{
"id": "mp-1203333",
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{
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"structure_string": "In16 Bi8 Pb3 S38\n1.0\n7.785979 0.000000 0.000000\n-1.944049 14.675121 0.000000\n-1.955518 -6.579158 13.400643\nIn Bi Pb S\n16 8 3 38\ndirect\n0.013791 0.919993 0.135813 In\n0.513764 0.920049 0.135205 In\n0.986567 0.079289 0.863600 In\n0.485972 0.079611 0.863633 In\n0.175622 0.105293 0.596640 In\n0.675955 0.107354 0.596952 In\n0.824377 0.894778 0.404247 In\n0.324810 0.895274 0.404218 In\n0.814253 0.144297 0.115529 In\n0.314517 0.144251 0.115666 In\n0.181072 0.853972 0.882448 In\n0.688111 0.854116 0.882521 In\n0.975111 0.657938 0.241891 In\n0.476215 0.658125 0.241697 In\n0.021777 0.341882 0.754725 In\n0.525734 0.341896 0.754944 In\n0.151296 0.219130 0.382087 Bi\n0.651693 0.218145 0.384411 Bi\n0.849009 0.777176 0.620571 Bi\n0.347412 0.779893 0.612562 Bi\n0.384311 0.597503 0.939028 Bi\n0.886458 0.601127 0.941535 Bi\n0.613765 0.399558 0.054040 Bi\n0.113918 0.398910 0.054567 Bi\n0.291860 0.521712 0.635056 Pb\n0.208247 0.480506 0.365374 Pb\n0.710507 0.479832 0.369869 Pb\n0.027579 0.845809 0.267284 S\n0.527871 0.846164 0.267031 S\n0.974754 0.155174 0.734302 S\n0.471093 0.155401 0.734093 S\n0.179294 0.946032 0.770316 S\n0.679794 0.946060 0.770265 S\n0.820184 0.055176 0.230626 S\n0.322722 0.055090 0.230673 S\n0.327213 0.401441 0.909678 S\n0.828126 0.402789 0.908868 S\n0.673454 0.597432 0.093693 S\n0.170140 0.597250 0.093720 S\n0.295850 0.204771 0.978343 S\n0.795727 0.204863 0.977888 S\n0.704555 0.796279 0.021854 S\n0.203628 0.796383 0.022078 S\n0.111795 0.911601 0.530766 S\n0.612143 0.912862 0.531213 S\n0.889410 0.088738 0.468777 S\n0.387051 0.088860 0.468539 S\n0.234219 0.304529 0.634204 S\n0.732553 0.299929 0.632979 S\n0.765526 0.695389 0.365437 S\n0.266226 0.695840 0.365045 S\n0.500497 0.000089 0.000257 S\n0.000447 0.003009 0.000892 S\n0.917121 0.465791 0.206896 S\n0.419513 0.465887 0.206678 S\n0.084737 0.534621 0.797613 S\n0.580511 0.534354 0.797280 S\n0.053865 0.635053 0.549491 S\n0.539050 0.635423 0.549503 S\n0.958261 0.364537 0.449195 S\n0.449281 0.364518 0.449006 S\n0.380231 0.740624 0.778316 S\n0.880145 0.739026 0.780491 S\n0.620437 0.260377 0.222823 S\n0.119967 0.260120 0.220555 S\n",
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"formula_full": "In16 Bi8 Pb3 S38",
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{
"id": "mp-23349",
"created_at": "2022-09-04T14:46:31.505016Z",
"structure_string": "Bi1 B3 O6\n1.0\n2.611352 3.558910 0.000000\n-2.611352 3.558910 0.000000\n0.000000 1.620467 6.451621\nBi B O\n1 3 6\ndirect\n0.020868 0.979132 0.000000 Bi\n0.287257 0.712743 0.500000 B\n0.698304 0.801496 0.695065 B\n0.198504 0.301696 0.304935 B\n0.525387 0.902157 0.878037 O\n0.301645 0.402654 0.450803 O\n0.597346 0.698355 0.549197 O\n0.024398 0.792332 0.680480 O\n0.207668 0.975602 0.319520 O\n0.097843 0.474613 0.121963 O\n",
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"volume": 119.91714077091957,
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"formula_full": "Bi1 B3 O6",
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"energy": -79.37268249,
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{
"id": "mp-704236",
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"structure_string": "Mn4 P12 O36\n1.0\n9.528595 0.000000 0.000000\n-3.527781 8.874906 0.000000\n-2.673030 -4.039867 8.276185\nMn P O\n4 12 36\ndirect\n0.112059 0.293362 0.208054 Mn\n0.265293 0.768358 0.717640 Mn\n0.734707 0.231642 0.282360 Mn\n0.887941 0.706638 0.791946 Mn\n0.992905 0.607648 0.353706 P\n0.181973 0.087749 0.919572 P\n0.818027 0.912251 0.080428 P\n0.429687 0.670709 0.305613 P\n0.306740 0.429865 0.591902 P\n0.056141 0.795462 0.166822 P\n0.488228 0.846996 0.098031 P\n0.693260 0.570135 0.408098 P\n0.570313 0.329291 0.694387 P\n0.007095 0.392352 0.646294 P\n0.511772 0.153004 0.901969 P\n0.943859 0.204538 0.833178 P\n0.101731 0.900754 0.809511 O\n0.150532 0.349870 0.633116 O\n0.735376 0.482661 0.746907 O\n0.003161 0.374726 0.803615 O\n0.400226 0.699032 0.138763 O\n0.845022 0.262624 0.499202 O\n0.056389 0.574377 0.679950 O\n0.495431 0.823230 0.449766 O\n0.812519 0.862504 0.915285 O\n0.361374 0.818227 0.942983 O\n0.747680 0.677954 0.584207 O\n0.901369 0.829242 0.174122 O\n0.367547 0.184251 0.935045 O\n0.638626 0.181773 0.057017 O\n0.098631 0.170758 0.825878 O\n0.154978 0.737376 0.500798 O\n0.219624 0.930680 0.292877 O\n0.566357 0.015962 0.239346 O\n0.634816 0.386741 0.351231 O\n0.365184 0.613259 0.648769 O\n0.436464 0.398351 0.704254 O\n0.028616 0.729274 0.991001 O\n0.187481 0.137496 0.084715 O\n0.264624 0.517339 0.253093 O\n0.504569 0.176770 0.550234 O\n0.996839 0.625274 0.196385 O\n0.252320 0.322046 0.415793 O\n0.599774 0.300968 0.861237 O\n0.971384 0.270726 0.008999 O\n0.433643 0.984038 0.760654 O\n0.563536 0.601649 0.295746 O\n0.632453 0.815749 0.064955 O\n0.849468 0.650130 0.366884 O\n0.898269 0.099246 0.190489 O\n0.780376 0.069320 0.707123 O\n0.943611 0.425623 0.320050 O\n",
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"formula_full": "Mn4 P12 O36",
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{
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"structure_string": "Mn1 Ni2 Sn1\n1.0\n0.000000 3.024755 3.024755\n3.024755 0.000000 3.024755\n3.024755 3.024755 0.000000\nMn Ni Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750000 0.750000 Ni\n0.500000 0.500000 0.500000 Sn\n",
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{
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"structure_string": "K1 Na2 Cu1 O2\n1.0\n-2.195186 2.195186 5.472098\n2.195186 -2.195186 5.472098\n2.195186 2.195186 -5.472098\nK Na Cu O\n1 2 1 2\ndirect\n0.572521 0.572521 0.000000 K\n0.772790 0.272790 0.500000 Na\n0.272790 0.772790 0.500000 Na\n0.995311 0.995311 0.000000 Cu\n0.161513 0.161513 0.000000 O\n0.830014 0.830014 0.000000 O\n",
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{
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"structure_string": "Rb4 P4 Pt2\n1.0\n3.323504 -7.169843 0.000000\n3.323504 7.169843 0.000000\n0.000000 0.000000 6.318850\nRb P Pt\n4 4 2\ndirect\n0.787670 0.212330 0.250000 Rb\n0.212330 0.787670 0.750000 Rb\n0.420063 0.579937 0.250000 Rb\n0.579937 0.420063 0.750000 Rb\n0.937552 0.732487 0.250000 P\n0.062448 0.267513 0.750000 P\n0.267513 0.062448 0.250000 P\n0.732487 0.937552 0.750000 P\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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{
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"structure_string": "Er1 Ga6 Co6\n1.0\n5.045051 0.000000 0.000000\n2.522525 -4.092035 4.316422\n2.522525 -4.092035 -4.316422\nEr Ga Co\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.344847 0.655153 Ga\n0.000000 0.655153 0.344847 Ga\n0.500000 0.188571 0.811429 Ga\n0.500000 0.811429 0.188571 Ga\n0.340086 0.659914 0.659914 Ga\n0.659914 0.340086 0.340086 Ga\n0.262465 0.237535 0.237535 Co\n0.737535 0.762465 0.762465 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
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{
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