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{
"id": "mp-1517171",
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{
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"formula_full": "K1 Rb1 Mg14 O15",
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{
"id": "mp-1196457",
"created_at": "2022-09-04T14:47:45.098477Z",
"structure_string": "Li8 B12 O16 F12\n1.0\n4.962636 0.000000 0.000000\n0.000000 8.828517 0.000000\n0.000000 0.000000 12.445664\nLi B O F\n8 12 16 12\ndirect\n0.585613 0.145292 0.103407 Li\n0.914387 0.854708 0.603407 Li\n0.085613 0.354708 0.896593 Li\n0.414387 0.645292 0.396593 Li\n0.340000 0.706310 0.928311 Li\n0.160000 0.293690 0.428311 Li\n0.840000 0.793690 0.071689 Li\n0.660000 0.206310 0.571689 Li\n0.919566 0.818491 0.839776 B\n0.580434 0.181509 0.339776 B\n0.419566 0.681509 0.160224 B\n0.080434 0.318491 0.660224 B\n0.091089 0.031325 0.961055 B\n0.408911 0.968675 0.461055 B\n0.591089 0.468675 0.038945 B\n0.908911 0.531325 0.538945 B\n0.978371 0.079331 0.769770 B\n0.521629 0.920669 0.269770 B\n0.478371 0.420669 0.230230 B\n0.021629 0.579331 0.730230 B\n0.035680 0.873369 0.940486 O\n0.464320 0.126631 0.440486 O\n0.535680 0.626631 0.059514 O\n0.964320 0.373369 0.559514 O\n0.041787 0.133509 0.870806 O\n0.458213 0.866491 0.370806 O\n0.541787 0.366491 0.129194 O\n0.958213 0.633509 0.629194 O\n0.940567 0.927006 0.751795 O\n0.559433 0.072994 0.251795 O\n0.440567 0.572994 0.248205 O\n0.059433 0.427006 0.748205 O\n0.947652 0.173901 0.682866 O\n0.552348 0.826099 0.182866 O\n0.447652 0.326099 0.317134 O\n0.052348 0.673901 0.817134 O\n0.928559 0.079865 0.052554 F\n0.571441 0.920135 0.552554 F\n0.428559 0.420135 0.947446 F\n0.071441 0.579865 0.447446 F\n0.366056 0.050550 0.996757 F\n0.133944 0.949450 0.496757 F\n0.866056 0.449450 0.003243 F\n0.633944 0.550550 0.503243 F\n0.632028 0.787951 0.855060 F\n0.867972 0.212049 0.355060 F\n0.132028 0.712049 0.144940 F\n0.367972 0.287951 0.644940 F\n",
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"spacegroup": 19
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{
"id": "mp-1188234",
"created_at": "2022-09-04T14:46:11.002880Z",
"structure_string": "B8 Os4 W8\n1.0\n3.093330 0.000000 0.000000\n0.000000 7.598715 0.000000\n0.000000 0.000000 9.665628\nB Os W\n8 4 8\ndirect\n0.500000 0.116606 0.461385 B\n0.500000 0.883394 0.538615 B\n0.000000 0.383394 0.961385 B\n0.000000 0.616606 0.038615 B\n0.500000 0.125740 0.268485 B\n0.500000 0.874260 0.731515 B\n0.000000 0.374260 0.768485 B\n0.000000 0.625740 0.231515 B\n0.500000 0.619132 0.392352 Os\n0.500000 0.380868 0.607648 Os\n0.000000 0.880868 0.892352 Os\n0.000000 0.119132 0.107648 Os\n0.500000 0.808808 0.130232 W\n0.500000 0.191192 0.869768 W\n0.000000 0.691192 0.630232 W\n0.000000 0.308808 0.369768 W\n0.500000 0.572498 0.860119 W\n0.500000 0.427502 0.139881 W\n0.000000 0.927502 0.360119 W\n0.000000 0.072498 0.639881 W\n",
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"formula_full": "B8 Os4 W8",
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{
"id": "mp-1372745",
"created_at": "2022-09-04T14:46:55.628181Z",
"structure_string": "Mg4 Ta2 W2 O12\n1.0\n7.754898 0.000000 0.000000\n0.000000 5.366435 0.000000\n0.000000 0.147585 5.459261\nMg Ta W O\n4 2 2 12\ndirect\n0.750000 0.007420 0.033453 Mg\n0.750000 0.496482 0.545473 Mg\n0.250000 0.503518 0.454527 Mg\n0.250000 0.992580 0.966547 Mg\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.430156 0.155230 0.185133 O\n0.568548 0.688843 0.335869 O\n0.569844 0.844770 0.814867 O\n0.068548 0.311157 0.664131 O\n0.250000 0.871730 0.574416 O\n0.431452 0.311157 0.664131 O\n0.931452 0.688843 0.335869 O\n0.069844 0.155230 0.185133 O\n0.750000 0.361020 0.901892 O\n0.930156 0.844770 0.814867 O\n0.250000 0.638980 0.098108 O\n0.750000 0.128270 0.425584 O\n",
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{
"id": "mp-1216930",
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"structure_string": "Ti1 Fe5 O8\n1.0\n5.287126 -3.033605 0.000000\n5.287126 3.033605 0.000000\n3.546527 0.000000 4.957681\nTi Fe O\n1 5 8\ndirect\n0.500000 0.500000 0.500000 Ti\n0.129234 0.129234 0.129234 Fe\n0.870766 0.870766 0.870766 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.257357 0.257357 0.257357 O\n0.738791 0.265880 0.265880 O\n0.265880 0.265880 0.738791 O\n0.265880 0.738791 0.265880 O\n0.742643 0.742643 0.742643 O\n0.261209 0.734120 0.734120 O\n0.734120 0.734120 0.261209 O\n0.734120 0.261209 0.734120 O\n",
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{
"id": "mp-753228",
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"structure_string": "Li1 Mn3 O6\n1.0\n4.344039 2.619476 0.000000\n-4.344039 2.619476 0.000000\n0.000000 1.822051 4.991348\nLi Mn O\n1 3 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.666040 0.333960 0.000000 Mn\n0.333960 0.666040 0.000000 Mn\n0.697203 0.697203 0.782516 O\n0.922017 0.593246 0.192397 O\n0.593246 0.922017 0.192397 O\n0.406754 0.077983 0.807603 O\n0.077983 0.406754 0.807603 O\n0.302797 0.302797 0.217484 O\n",
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{
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"structure_string": "Cu8 H14 S2 O22\n1.0\n6.525949 0.000000 0.000000\n0.000000 8.264908 0.000000\n0.000000 5.305652 9.687901\nCu H S O\n8 14 2 22\ndirect\n0.528181 0.935171 0.124246 Cu\n0.471819 0.935171 0.624246 Cu\n0.008332 0.971319 0.583192 Cu\n0.991668 0.971319 0.083192 Cu\n0.178078 0.046581 0.299286 Cu\n0.821922 0.046581 0.799286 Cu\n0.304422 0.102353 0.762336 Cu\n0.695578 0.102353 0.262336 Cu\n0.267179 0.664025 0.665027 H\n0.732821 0.664025 0.165027 H\n0.042718 0.245647 0.849262 H\n0.957282 0.245647 0.349262 H\n0.010585 0.633936 0.837291 H\n0.989415 0.633936 0.337291 H\n0.329241 0.700277 0.519258 H\n0.670759 0.700277 0.019258 H\n0.151572 0.832129 0.825071 H\n0.848428 0.832129 0.325071 H\n0.438206 0.450141 0.534597 H\n0.561794 0.450141 0.034597 H\n0.238661 0.508252 0.441279 H\n0.761339 0.508252 0.941279 H\n0.256539 0.596199 0.146447 S\n0.743461 0.596199 0.646447 S\n0.650959 0.554576 0.978141 O\n0.349041 0.554576 0.478141 O\n0.936911 0.115473 0.372174 O\n0.063089 0.115473 0.872174 O\n0.015972 0.829557 0.786601 O\n0.984028 0.829557 0.286601 O\n0.299335 0.769653 0.574914 O\n0.700665 0.769653 0.074914 O\n0.433886 0.020374 0.247002 O\n0.566114 0.020374 0.747002 O\n0.013254 0.494281 0.360314 O\n0.986746 0.494281 0.860314 O\n0.260666 0.795437 0.119003 O\n0.739334 0.795437 0.619003 O\n0.246899 0.105331 0.584442 O\n0.753101 0.105331 0.084442 O\n0.772128 0.583822 0.521482 O\n0.227872 0.583822 0.021482 O\n0.971910 0.517964 0.719771 O\n0.028090 0.517964 0.219771 O\n0.588138 0.483803 0.742464 O\n0.411862 0.483803 0.242464 O\n",
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"formula_full": "Cu8 H14 S2 O22",
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{
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"structure_string": "Mn12 Fe4 Co8 P12\n1.0\n3.495863 0.000000 0.000000\n0.000000 5.831608 0.000000\n0.000000 0.022044 20.059170\nMn Fe Co P\n12 4 8 12\ndirect\n0.500000 0.472773 0.943624 Mn\n0.500000 0.471531 0.610210 Mn\n0.500000 0.472782 0.277063 Mn\n0.500000 0.971251 0.889681 Mn\n0.500000 0.972158 0.556220 Mn\n0.500000 0.971932 0.222801 Mn\n0.000000 0.527201 0.723048 Mn\n0.000000 0.527178 0.389342 Mn\n0.000000 0.527019 0.055972 Mn\n0.000000 0.027410 0.776908 Mn\n0.000000 0.027165 0.443868 Mn\n0.000000 0.027109 0.110416 Mn\n0.500000 0.354453 0.812753 Fe\n0.500000 0.354939 0.479086 Fe\n0.500000 0.355136 0.145824 Fe\n0.500000 0.854734 0.687101 Fe\n0.500000 0.856202 0.354788 Co\n0.500000 0.856121 0.021375 Co\n0.000000 0.647273 0.854993 Co\n0.000000 0.646822 0.521938 Co\n0.000000 0.646305 0.188395 Co\n0.000000 0.144988 0.978347 Co\n0.000000 0.147715 0.644679 Co\n0.000000 0.144600 0.311700 Co\n0.500000 0.730386 0.790596 P\n0.500000 0.731477 0.458234 P\n0.500000 0.731479 0.124776 P\n0.500000 0.230561 0.709204 P\n0.500000 0.233526 0.375677 P\n0.500000 0.233408 0.042457 P\n0.000000 0.267805 0.874604 P\n0.000000 0.267548 0.541331 P\n0.000000 0.267362 0.208042 P\n0.000000 0.766788 0.958210 P\n0.000000 0.768210 0.625289 P\n0.000000 0.766652 0.291447 P\n",
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