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{
"id": "mp-1274025",
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"structure_string": "Fe4 P4 H24 N4 O20\n1.0\n5.711465 -0.002545 4.828115\n-0.013019 9.012078 4.838565\n-5.734017 -0.000234 4.854232\nFe P H N O\n4 4 24 4 20\ndirect\n0.994054 0.018655 0.493747 Fe\n0.012809 0.981266 0.012364 Fe\n0.491672 0.024361 0.989589 Fe\n0.515735 0.975633 0.513563 Fe\n0.885389 0.802750 0.386603 P\n0.387219 0.805541 0.885760 P\n0.192423 0.194317 0.191447 P\n0.688105 0.197216 0.689548 P\n0.381271 0.543157 0.884875 H\n0.883165 0.541875 0.385935 H\n0.924332 0.456816 0.927987 H\n0.425071 0.458158 0.427827 H\n0.200432 0.546094 0.703854 H\n0.700981 0.547065 0.204694 H\n0.248053 0.452889 0.251846 H\n0.746408 0.453914 0.749913 H\n0.430766 0.415636 0.778682 H\n0.930024 0.414778 0.278858 H\n0.284423 0.409784 0.929654 H\n0.783102 0.410614 0.429974 H\n0.193981 0.589444 0.340608 H\n0.694424 0.590216 0.839558 H\n0.846608 0.584328 0.694374 H\n0.345094 0.585160 0.193680 H\n0.259282 0.192571 0.619079 H\n0.762100 0.186636 0.126693 H\n0.119348 0.193215 0.751827 H\n0.623970 0.188244 0.262429 H\n0.312245 0.806789 0.444825 H\n0.812066 0.812097 0.949875 H\n0.949283 0.813563 0.813163 H\n0.451286 0.807554 0.311168 H\n0.324706 0.478107 0.824963 N\n0.824731 0.477893 0.325273 N\n0.802855 0.521880 0.803117 N\n0.302746 0.522098 0.303228 N\n0.214431 0.837921 0.714949 O\n0.716456 0.833316 0.214582 O\n0.051891 0.162053 0.052913 O\n0.549860 0.166432 0.548198 O\n0.993133 0.632210 0.501452 O\n0.489564 0.634805 0.000326 O\n0.124662 0.365022 0.135216 O\n0.625599 0.367823 0.633347 O\n0.243069 0.206484 0.740536 O\n0.750122 0.197132 0.250984 O\n0.947274 0.803097 0.947816 O\n0.449116 0.793727 0.446559 O\n0.034496 0.872586 0.316764 O\n0.537772 0.871994 0.813660 O\n0.810303 0.877902 0.529698 O\n0.317129 0.883754 0.027043 O\n0.687566 0.122633 0.907691 O\n0.200364 0.116205 0.410886 O\n0.409409 0.127470 0.186214 O\n0.907026 0.127120 0.689989 O\n",
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"spacegroup": 9
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{
"id": "mp-1289222",
"created_at": "2022-09-04T14:39:07.786733Z",
"structure_string": "Mg4 Fe2 Ir2 O12\n1.0\n5.140021 0.000019 -0.019152\n0.000022 5.321160 0.000435\n-0.013280 0.000620 7.583000\nMg Fe Ir O\n4 2 2 12\ndirect\n0.010914 0.940206 0.247814 Mg\n0.489066 0.440194 0.252213 Mg\n0.510933 0.559805 0.747787 Mg\n0.989086 0.059793 0.752186 Mg\n0.000002 0.500006 0.999993 Fe\n0.500003 0.000002 0.500005 Fe\n0.999999 0.499999 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.134338 0.430446 0.745620 O\n0.182226 0.184908 0.069855 O\n0.176944 0.188521 0.427291 O\n0.323077 0.688567 0.072702 O\n0.317756 0.684919 0.430157 O\n0.365678 0.930462 0.754394 O\n0.634322 0.069537 0.245606 O\n0.682243 0.315081 0.569843 O\n0.676922 0.311433 0.927298 O\n0.817774 0.815090 0.930145 O\n0.823056 0.811478 0.572710 O\n0.865661 0.569553 0.254379 O\n",
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"formula_full": "Mg4 Fe2 Ir2 O12",
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},
{
"id": "mp-755168",
"created_at": "2022-09-04T14:39:07.899391Z",
"structure_string": "V8 O12 F4\n1.0\n3.083850 -6.615369 0.000000\n3.083850 6.615369 0.000000\n0.000000 0.000000 6.379488\nV O F\n8 12 4\ndirect\n0.879860 0.627462 0.750000 V\n0.372538 0.120140 0.750000 V\n0.381611 0.618389 0.750000 V\n0.873067 0.126933 0.750000 V\n0.126933 0.873067 0.250000 V\n0.618389 0.381611 0.250000 V\n0.120140 0.372538 0.250000 V\n0.627462 0.879860 0.250000 V\n0.524911 0.475089 0.750000 O\n0.375318 0.126361 0.449494 O\n0.873639 0.624682 0.449494 O\n0.624682 0.873639 0.550506 O\n0.873639 0.624682 0.050506 O\n0.375318 0.126361 0.050506 O\n0.126361 0.375318 0.550506 O\n0.475089 0.524911 0.250000 O\n0.224094 0.775906 0.750000 O\n0.775906 0.224094 0.250000 O\n0.126361 0.375318 0.949494 O\n0.624682 0.873639 0.949494 O\n0.023735 0.976265 0.750000 F\n0.724135 0.275865 0.750000 F\n0.976265 0.023735 0.250000 F\n0.275865 0.724135 0.250000 F\n",
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{
"id": "mp-1182536",
"created_at": "2022-09-04T14:39:07.915621Z",
"structure_string": "Ca6 As4 O38\n1.0\n11.881052 0.358869 0.290287\n-4.198938 10.873517 -0.437259\n0.290679 -0.203975 6.080458\nCa As O\n6 4 38\ndirect\n0.825423 0.440327 0.677178 Ca\n0.174577 0.559673 0.322822 Ca\n0.882765 0.677618 0.191100 Ca\n0.117235 0.322382 0.808900 Ca\n0.849454 0.096114 0.484783 Ca\n0.150546 0.903886 0.515217 Ca\n0.731130 0.842057 0.742511 As\n0.268870 0.157943 0.257489 As\n0.910039 0.372192 0.202158 As\n0.089961 0.627808 0.797842 As\n0.811899 0.866358 0.040346 O\n0.188101 0.133642 0.959654 O\n0.871833 0.892661 0.566274 O\n0.128167 0.107339 0.433726 O\n0.659342 0.694705 0.747549 O\n0.340658 0.305295 0.252451 O\n0.578822 0.929629 0.111045 O\n0.421178 0.070371 0.888955 O\n0.056397 0.376486 0.157229 O\n0.943603 0.623514 0.842771 O\n0.922015 0.516321 0.325772 O\n0.077985 0.483679 0.674228 O\n0.837178 0.279688 0.411066 O\n0.162822 0.720312 0.588934 O\n0.834882 0.336610 0.965330 O\n0.165118 0.663390 0.034670 O\n0.568240 0.287691 0.632380 O\n0.431760 0.712309 0.367620 O\n0.685495 0.524943 0.388491 O\n0.314505 0.475057 0.611509 O\n0.698884 0.520250 0.021625 O\n0.301116 0.479750 0.978375 O\n0.941144 0.813569 0.527373 O\n0.058856 0.186431 0.472627 O\n0.061665 0.834866 0.193210 O\n0.938335 0.165134 0.806790 O\n0.868103 0.978388 0.116186 O\n0.131897 0.021612 0.883814 O\n0.686599 0.955785 0.672108 O\n0.313401 0.044215 0.327892 O\n0.639762 0.041200 0.172760 O\n0.360238 0.958800 0.827240 O\n0.583960 0.118258 0.212028 O\n0.416040 0.881742 0.787972 O\n0.529434 0.699610 0.319790 O\n0.470566 0.300390 0.680210 O\n0.643465 0.463577 0.200938 O\n0.356535 0.536423 0.799062 O\n",
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"formula_full": "Ca6 As4 O38",
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{
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"structure_string": "Sm1 Fe5\n1.0\n5.088748 0.000000 0.000000\n-2.544374 4.406985 0.000000\n0.000000 0.000000 3.944794\nSm Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n",
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{
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"structure_string": "Nd3 Ni13 B2\n1.0\n2.511561 -4.350152 0.000000\n2.511561 4.350152 0.000000\n0.000000 0.000000 10.920912\nNd Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.671893 Nd\n0.000000 0.000000 0.328107 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.867367 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.333333 0.666667 0.319184 Ni\n0.666667 0.333333 0.319184 Ni\n0.666667 0.333333 0.680816 Ni\n0.333333 0.666667 0.680816 Ni\n0.500000 0.000000 0.132633 Ni\n0.500000 0.500000 0.132633 Ni\n0.000000 0.500000 0.132633 Ni\n0.500000 0.000000 0.867367 Ni\n0.500000 0.500000 0.867367 Ni\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
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{
"id": "mp-754820",
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"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n-0.002101 0.003180 6.383578\n8.591695 0.031373 -0.002712\n0.832084 9.784815 0.004672\nLi Co P C O\n12 4 4 4 28\ndirect\n0.264028 0.109198 0.388696 Li\n0.266285 0.107106 0.888751 Li\n0.768089 0.891582 0.110164 Li\n0.765001 0.891865 0.612513 Li\n0.478908 0.283254 0.121368 Li\n0.478975 0.283608 0.621397 Li\n0.989599 0.716236 0.377231 Li\n0.980354 0.716188 0.878469 Li\n0.741422 0.358156 0.390621 Li\n0.741547 0.356725 0.889702 Li\n0.242221 0.643739 0.112333 Li\n0.241451 0.642736 0.608237 Li\n0.995682 0.267614 0.627673 Co\n0.495143 0.733097 0.872129 Co\n0.996308 0.267618 0.127850 Co\n0.503360 0.740035 0.370474 Co\n0.249700 0.408687 0.362043 P\n0.247604 0.408560 0.861974 P\n0.746771 0.590883 0.138136 P\n0.745712 0.591585 0.637451 P\n0.762309 0.041518 0.351918 C\n0.763092 0.040939 0.851964 C\n0.258621 0.957208 0.149373 C\n0.263531 0.959692 0.647877 C\n0.760647 0.064753 0.478088 O\n0.759983 0.065892 0.978096 O\n0.259346 0.933618 0.022877 O\n0.262485 0.935629 0.521491 O\n0.243699 0.100793 0.187687 O\n0.244808 0.102871 0.686420 O\n0.741266 0.897775 0.313061 O\n0.744982 0.897368 0.814144 O\n0.780476 0.155792 0.257009 O\n0.779669 0.155764 0.756755 O\n0.268152 0.840866 0.244040 O\n0.278538 0.844323 0.742733 O\n0.055577 0.317261 0.424867 O\n0.054941 0.316056 0.924920 O\n0.555010 0.684913 0.075839 O\n0.553253 0.684540 0.575806 O\n0.440518 0.309185 0.412000 O\n0.439863 0.310983 0.912262 O\n0.939758 0.687796 0.087940 O\n0.938571 0.688618 0.586131 O\n0.746691 0.421083 0.095727 O\n0.746325 0.421250 0.596116 O\n0.253299 0.578107 0.403970 O\n0.247977 0.578505 0.903955 O\n0.231059 0.414539 0.202321 O\n0.229661 0.415133 0.702382 O\n0.728205 0.583517 0.297745 O\n0.729522 0.585241 0.797273 O\n",
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{
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"structure_string": "Cu1 Cl2\n1.0\n6.662224 -1.768523 0.000000\n6.662224 1.768523 0.000000\n6.192760 0.000000 3.026983\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.734732 0.734732 0.734732 Cl\n0.265268 0.265268 0.265268 Cl\n",
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{
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