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{
"id": "mp-1185771",
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{
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{
"id": "mp-1207694",
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"structure_string": "Tm4 Sb4 Ir4\n1.0\n4.470073 0.000000 0.000000\n0.000000 7.110444 0.000000\n0.000000 0.000000 7.978782\nTm Sb Ir\n4 4 4\ndirect\n0.250000 0.512188 0.188434 Tm\n0.750000 0.487812 0.811566 Tm\n0.750000 0.987812 0.688434 Tm\n0.250000 0.012188 0.311566 Tm\n0.250000 0.674745 0.588387 Sb\n0.750000 0.325255 0.411613 Sb\n0.750000 0.825255 0.088387 Sb\n0.250000 0.174745 0.911613 Sb\n0.250000 0.786082 0.908712 Ir\n0.750000 0.213918 0.091288 Ir\n0.750000 0.713918 0.408712 Ir\n0.250000 0.286082 0.591288 Ir\n",
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"formula_full": "Tm4 Sb4 Ir4",
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{
"id": "mp-1182818",
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"structure_string": "Bi8 W4 O24\n1.0\n15.670267 0.000000 0.000000\n0.000000 10.464794 0.000000\n0.000000 0.000000 3.690154\nBi W O\n8 4 24\ndirect\n0.896067 0.366205 0.010512 Bi\n0.103933 0.866205 0.989488 Bi\n0.603933 0.866205 0.010512 Bi\n0.176114 0.461034 0.976659 Bi\n0.396067 0.366205 0.989488 Bi\n0.676114 0.461034 0.023341 Bi\n0.323886 0.961034 0.976659 Bi\n0.823886 0.961034 0.023341 Bi\n0.945309 0.674714 0.516429 W\n0.445309 0.674714 0.483571 W\n0.554691 0.174714 0.516429 W\n0.054691 0.174714 0.483571 W\n0.606943 0.342571 0.529598 O\n0.531371 0.107363 0.014970 O\n0.766810 0.318557 0.033770 O\n0.106943 0.342571 0.470402 O\n0.233189 0.818557 0.966230 O\n0.249760 0.053032 0.472137 O\n0.393057 0.842571 0.470402 O\n0.750240 0.553032 0.527863 O\n0.570063 0.745702 0.506739 O\n0.656306 0.029522 0.530854 O\n0.070063 0.745702 0.493261 O\n0.468629 0.607363 0.985030 O\n0.156306 0.029522 0.469146 O\n0.250240 0.553032 0.472137 O\n0.893057 0.842571 0.529598 O\n0.343694 0.529522 0.469146 O\n0.031371 0.107363 0.985030 O\n0.266811 0.318557 0.966230 O\n0.843694 0.529522 0.530854 O\n0.968629 0.607363 0.014970 O\n0.749760 0.053032 0.527863 O\n0.929937 0.245702 0.506739 O\n0.733190 0.818557 0.033770 O\n0.429937 0.245702 0.493261 O\n",
"nsites": 36,
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"formula_full": "Bi8 W4 O24",
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},
{
"id": "mp-756524",
"created_at": "2022-09-04T14:40:56.365896Z",
"structure_string": "Li8 Nb2 Cr10 O24\n1.0\n2.598286 4.513253 0.302948\n0.591584 1.027619 20.896526\n2.619747 -4.512648 -0.151479\nLi Nb Cr O\n8 2 10 24\ndirect\n0.118839 0.354365 0.661867 Li\n0.118964 0.854187 0.661971 Li\n0.543045 0.145817 0.661994 Li\n0.542965 0.645633 0.661824 Li\n0.456894 0.354289 0.337705 Li\n0.457095 0.854107 0.337737 Li\n0.880672 0.145891 0.337733 Li\n0.880747 0.645707 0.337700 Li\n0.000038 0.999990 0.000013 Nb\n0.999975 0.499993 0.000012 Nb\n0.837658 0.250102 0.675441 Cr\n0.837947 0.749897 0.675561 Cr\n0.334355 0.499993 0.668741 Cr\n0.334271 0.000002 0.668563 Cr\n0.665574 0.499996 0.331192 Cr\n0.499491 0.250077 0.999207 Cr\n0.499679 0.749932 0.999173 Cr\n0.162491 0.250066 0.325148 Cr\n0.162637 0.749948 0.325093 Cr\n0.665636 0.000007 0.331291 Cr\n0.154927 0.302783 0.000899 O\n0.154950 0.802679 0.000869 O\n0.845978 0.197331 0.000882 O\n0.845985 0.697212 0.000887 O\n0.309667 0.048397 0.999924 O\n0.310146 0.548189 0.999934 O\n0.689758 0.451800 0.999945 O\n0.690240 0.951601 0.999933 O\n0.976935 0.050692 0.333102 O\n0.976999 0.550525 0.333567 O\n0.356533 0.449461 0.333564 O\n0.356171 0.949305 0.333111 O\n0.643813 0.050689 0.666788 O\n0.643414 0.550513 0.666349 O\n0.022884 0.449477 0.666334 O\n0.022978 0.949319 0.666776 O\n0.190630 0.198205 0.655161 O\n0.190793 0.698073 0.655079 O\n0.464321 0.301938 0.655113 O\n0.464538 0.801797 0.655121 O\n0.534650 0.198298 0.344670 O\n0.534807 0.698174 0.344676 O\n0.809871 0.301841 0.344671 O\n0.810035 0.801706 0.344679 O\n",
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"formula_full": "Li8 Nb2 Cr10 O24",
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{
"id": "mp-1096551",
"created_at": "2022-09-04T14:40:56.369888Z",
"structure_string": "In1 Fe1 Rh2\n1.0\n-4.798465 5.428729 7.675657\n4.798465 -5.428729 7.675657\n4.798465 5.428729 -7.675657\nIn Fe Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Fe\n0.000000 0.230568 0.230568 Rh\n0.000000 0.769432 0.769432 Rh\n",
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"formula_full": "In1 Fe1 Rh2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
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{
"id": "mp-1521685",
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"structure_string": "Ca1 Pr1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.016594 -4.016594\n4.016594 -0.000000 -4.016594\n4.016594 -4.016594 0.000000\nCa Pr Hf Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Hf\n-0.000000 -0.000000 -0.000000 Fe\n0.753508 0.246492 0.246492 O\n0.246492 0.753508 0.753508 O\n0.753508 0.246492 0.753508 O\n0.246492 0.753508 0.246492 O\n0.753508 0.753508 0.246492 O\n0.246492 0.246492 0.753508 O\n",
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{
"id": "mp-1175518",
"created_at": "2022-09-04T14:40:55.536877Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.891278 0.000000 0.000000\n-2.640425 -5.884731 0.000000\n-2.877475 0.143451 -8.124765\nLi Mn Co O\n9 2 5 16\ndirect\n0.757409 0.744921 0.257177 Li\n0.251977 0.998108 0.499050 Li\n0.246153 0.747477 0.254916 Li\n0.748023 0.001892 0.500950 Li\n0.753847 0.252523 0.745084 Li\n0.242591 0.255079 0.742823 Li\n0.244215 0.500818 0.000190 Li\n0.755785 0.499182 0.999810 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.515862 0.258448 0.254646 Co\n0.484138 0.741552 0.745354 Co\n0.500000 0.000000 0.000000 Co\n0.001378 0.254233 0.251283 Co\n0.998622 0.745767 0.748717 Co\n0.112600 0.012461 0.237329 O\n0.610601 0.257121 0.489158 O\n0.607983 0.010931 0.234167 O\n0.148670 0.269396 0.485663 O\n0.126220 0.520663 0.754494 O\n0.600901 0.503814 0.737909 O\n0.646661 0.779278 0.990671 O\n0.114779 0.762093 0.990286 O\n0.399099 0.496186 0.262091 O\n0.851330 0.730604 0.514337 O\n0.873780 0.479337 0.245506 O\n0.389399 0.742879 0.510842 O\n0.392017 0.989069 0.765833 O\n0.887400 0.987539 0.762671 O\n0.885221 0.237907 0.009714 O\n0.353339 0.220722 0.009329 O\n",
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{
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"structure_string": "Zn6 W12 O24\n1.0\n3.189863 5.607753 0.000000\n-3.189863 5.607753 0.000000\n0.000000 0.373396 15.511793\nZn W O\n6 12 24\ndirect\n0.162731 0.162731 0.954292 Zn\n0.497042 0.497042 0.624307 Zn\n0.499584 0.499584 0.995533 Zn\n0.838028 0.838028 0.291772 Zn\n0.162459 0.162459 0.710159 Zn\n0.501929 0.501929 0.375738 Zn\n0.164143 0.658551 0.835027 W\n0.657646 0.657646 0.833466 W\n0.500455 0.998716 0.500466 W\n0.658551 0.164143 0.835027 W\n0.829910 0.829910 0.667455 W\n0.999743 0.999743 0.500102 W\n0.838174 0.338134 0.166056 W\n0.998716 0.500455 0.500466 W\n0.338134 0.838174 0.166056 W\n0.170900 0.170900 0.333117 W\n0.338990 0.338990 0.165001 W\n0.832537 0.832537 0.043341 W\n0.340857 0.340857 0.919033 O\n0.495397 0.495397 0.757943 O\n0.330936 0.811334 0.913170 O\n0.811334 0.330936 0.913170 O\n0.515032 0.988254 0.753820 O\n0.674662 0.674662 0.582287 O\n0.988254 0.515032 0.753820 O\n0.818142 0.818142 0.907749 O\n0.672397 0.145118 0.580222 O\n0.836247 0.836247 0.424227 O\n0.983851 0.983851 0.751720 O\n0.145118 0.672397 0.580222 O\n0.855327 0.326583 0.419469 O\n0.016678 0.016678 0.249185 O\n0.326583 0.855327 0.419469 O\n0.162869 0.162869 0.576001 O\n0.173819 0.173819 0.090280 O\n0.012078 0.485795 0.245890 O\n0.324876 0.324876 0.418192 O\n0.485795 0.012078 0.245890 O\n0.183000 0.676402 0.091323 O\n0.501220 0.501220 0.241883 O\n0.676402 0.183000 0.091323 O\n0.648223 0.648223 0.077366 O\n",
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{
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"structure_string": "In1 Mo12 Pb1 S16\n1.0\n8.146838 -4.633005 0.000000\n8.146838 4.633005 0.000000\n5.512105 0.000000 7.579736\nIn Mo Pb S\n1 12 1 16\ndirect\n0.500000 0.500000 0.500000 In\n0.185868 0.376311 0.038302 Mo\n0.684978 0.875906 0.539772 Mo\n0.376311 0.038302 0.185868 Mo\n0.875906 0.539772 0.684978 Mo\n0.038302 0.185868 0.376311 Mo\n0.539772 0.684978 0.875906 Mo\n0.315022 0.124094 0.460228 Mo\n0.814132 0.623689 0.961698 Mo\n0.124094 0.460228 0.315022 Mo\n0.623689 0.961698 0.814132 Mo\n0.460228 0.315022 0.124094 Mo\n0.961698 0.814132 0.623689 Mo\n0.000000 0.000000 0.000000 Pb\n0.121685 0.121685 0.121685 S\n0.621206 0.621206 0.621206 S\n0.378794 0.378794 0.378794 S\n0.878315 0.878315 0.878315 S\n0.241689 0.885649 0.497123 S\n0.741423 0.384849 0.998206 S\n0.885649 0.497123 0.241689 S\n0.384849 0.998206 0.741423 S\n0.497123 0.241689 0.885649 S\n0.998206 0.741423 0.384849 S\n0.258577 0.615151 0.001794 S\n0.758311 0.114351 0.502877 S\n0.615151 0.001794 0.258577 S\n0.114351 0.502877 0.758311 S\n0.001794 0.258577 0.615151 S\n0.502877 0.758311 0.114351 S\n",
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{
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{
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"structure_string": "Mg14 Cr1 Cu1 O16\n1.0\n8.552615 0.000000 0.000000\n0.000000 8.552615 0.000000\n0.000000 0.000000 4.247811\nMg Cr Cu O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.247000 0.500000 Mg\n0.000000 0.753000 0.500000 Mg\n0.500000 0.247293 0.500000 Mg\n0.500000 0.752707 0.500000 Mg\n0.247000 0.000000 0.500000 Mg\n0.247293 0.500000 0.500000 Mg\n0.753000 0.000000 0.500000 Mg\n0.752707 0.500000 0.500000 Mg\n0.245373 0.245373 0.000000 Mg\n0.245373 0.754627 0.000000 Mg\n0.754627 0.245373 0.000000 Mg\n0.754627 0.754627 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cu\n0.263263 0.000000 0.000000 O\n0.256946 0.500000 0.000000 O\n0.736737 0.000000 0.000000 O\n0.743054 0.500000 0.000000 O\n0.250529 0.250529 0.500000 O\n0.250529 0.749471 0.500000 O\n0.749471 0.250529 0.500000 O\n0.749471 0.749471 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.263263 0.000000 O\n0.000000 0.736737 0.000000 O\n0.500000 0.256946 0.000000 O\n0.500000 0.743054 0.000000 O\n",
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"formula_full": "Mg14 Cr1 Cu1 O16",
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"formula_anonymous": "ABC14D16",
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}