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{
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{
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{
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"structure_string": "Co12 Mo12 N4\n1.0\n0.000000 5.524949 5.524949\n5.524949 0.000000 5.524949\n5.524949 5.524949 0.000000\nCo Mo N\n12 12 4\ndirect\n0.625000 0.125000 0.625000 Co\n0.625000 0.625000 0.125000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n0.830409 0.508773 0.830409 Co\n0.419591 0.419591 0.741227 Co\n0.741227 0.419591 0.419591 Co\n0.419591 0.419591 0.419591 Co\n0.508773 0.830409 0.830409 Co\n0.830409 0.830409 0.830409 Co\n0.830409 0.830409 0.508773 Co\n0.419591 0.741227 0.419591 Co\n0.202096 0.202096 0.797904 Mo\n0.452096 0.047904 0.047904 Mo\n0.047904 0.452096 0.452096 Mo\n0.452096 0.452096 0.047904 Mo\n0.452096 0.047904 0.452096 Mo\n0.047904 0.452096 0.047904 Mo\n0.797904 0.202096 0.797904 Mo\n0.797904 0.202096 0.202096 Mo\n0.202096 0.797904 0.797904 Mo\n0.202096 0.797904 0.202096 Mo\n0.047904 0.047904 0.452096 Mo\n0.797904 0.797904 0.202096 Mo\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.625000 0.125000 0.125000 N\n0.125000 0.125000 0.125000 N\n",
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{
"id": "mp-1295198",
"created_at": "2022-09-04T14:39:18.554818Z",
"structure_string": "Li4 Fe4 Si4 O14\n1.0\n-2.681806 4.648998 -0.059190\n0.113226 -0.027362 8.155901\n8.047842 4.649938 0.118886\nLi Fe Si O\n4 4 4 14\ndirect\n0.495796 0.228075 0.168850 Li\n0.995814 0.228130 0.668832 Li\n0.004029 0.771842 0.331092 Li\n0.504031 0.771813 0.831092 Li\n0.003327 0.772542 0.664838 Fe\n0.996423 0.227111 0.335383 Fe\n0.503285 0.772430 0.164476 Fe\n0.496695 0.227082 0.835490 Fe\n0.998117 0.299141 0.001084 Si\n0.497888 0.299210 0.501029 Si\n0.502085 0.700861 0.498916 Si\n0.002023 0.700839 0.998907 Si\n0.000646 0.500001 0.000043 O\n0.500564 0.499994 0.500129 O\n0.860783 0.761487 0.144718 O\n0.360768 0.761543 0.644736 O\n0.793846 0.766824 0.495927 O\n0.293717 0.766900 0.995765 O\n0.145446 0.234176 0.145974 O\n0.645160 0.234143 0.645920 O\n0.354784 0.765597 0.353944 O\n0.854487 0.765721 0.854082 O\n0.706097 0.233678 0.004096 O\n0.205842 0.233778 0.504070 O\n0.639173 0.238501 0.355193 O\n0.139366 0.238579 0.855217 O\n",
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"formula_full": "Li4 Fe4 Si4 O14",
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"spacegroup": 2
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{
"id": "mp-766895",
"created_at": "2022-09-04T14:39:47.179910Z",
"structure_string": "Cr8 Ni50 Mo17\n1.0\n9.262604 0.000000 0.000000\n-2.590180 9.565049 0.000000\n-4.592477 -1.528861 10.096612\nCr Ni Mo\n8 50 17\ndirect\n0.642137 0.037506 0.714556 Cr\n0.479922 0.279237 0.040555 Cr\n0.756476 0.362205 0.484010 Cr\n0.682369 0.476808 0.635636 Cr\n0.321151 0.520427 0.360441 Cr\n0.080033 0.879899 0.839816 Cr\n0.717206 0.923549 0.564761 Cr\n0.360810 0.960312 0.280077 Cr\n0.865067 0.199896 0.929212 Ni\n0.512449 0.242581 0.653435 Ni\n0.152147 0.285691 0.373505 Ni\n0.428461 0.359877 0.815869 Ni\n0.063972 0.401274 0.532857 Ni\n0.979256 0.519235 0.689103 Ni\n0.908355 0.645375 0.850033 Ni\n0.783723 0.321416 0.092173 Ni\n0.705128 0.438535 0.253865 Ni\n0.349798 0.479709 0.974501 Ni\n0.626783 0.558514 0.416727 Ni\n0.269967 0.601067 0.137269 Ni\n0.550387 0.681077 0.570808 Ni\n0.193404 0.724512 0.293656 Ni\n0.470337 0.805291 0.731337 Ni\n0.108910 0.841303 0.454859 Ni\n0.384427 0.921467 0.893559 Ni\n0.024606 0.961573 0.616599 Ni\n0.941722 0.077875 0.769646 Ni\n0.826620 0.761501 0.011709 Ni\n0.747730 0.883018 0.173433 Ni\n0.664288 0.000573 0.336599 Ni\n0.309783 0.043948 0.054056 Ni\n0.590159 0.120656 0.493537 Ni\n0.229866 0.159316 0.213747 Ni\n0.176064 0.238028 0.987498 Ni\n0.806241 0.276833 0.702145 Ni\n0.457924 0.322189 0.429542 Ni\n0.731640 0.399389 0.862896 Ni\n0.376303 0.438773 0.584787 Ni\n0.291122 0.558692 0.745431 Ni\n0.210446 0.679692 0.906934 Ni\n0.095017 0.358922 0.149262 Ni\n0.016021 0.478797 0.306949 Ni\n0.648686 0.513811 0.027091 Ni\n0.928563 0.594319 0.467182 Ni\n0.572569 0.638968 0.188461 Ni\n0.849674 0.719150 0.629020 Ni\n0.491029 0.758187 0.350259 Ni\n0.771851 0.841680 0.782208 Ni\n0.420065 0.881822 0.507836 Ni\n0.690513 0.959398 0.942522 Ni\n0.336917 0.999150 0.667165 Ni\n0.251797 0.115672 0.830334 Ni\n0.134062 0.800727 0.066072 Ni\n0.055923 0.917492 0.226642 Ni\n0.972463 0.038832 0.387388 Ni\n0.610453 0.081177 0.106600 Ni\n0.886739 0.156381 0.546321 Ni\n0.530474 0.196646 0.267349 Ni\n0.001914 0.997172 0.994901 Mo\n0.284557 0.077632 0.435815 Mo\n0.559570 0.160072 0.879475 Mo\n0.201169 0.199022 0.599551 Mo\n0.118131 0.318314 0.759105 Mo\n0.039837 0.439841 0.919710 Mo\n0.920106 0.120506 0.159610 Mo\n0.837276 0.242732 0.324911 Mo\n0.400897 0.399056 0.200418 Mo\n0.602106 0.597582 0.794475 Mo\n0.243738 0.637903 0.515917 Mo\n0.519642 0.719909 0.959077 Mo\n0.156817 0.762569 0.683484 Mo\n0.959636 0.560685 0.079139 Mo\n0.879587 0.680546 0.242193 Mo\n0.796617 0.802873 0.406397 Mo\n0.438398 0.843636 0.125985 Mo\n",
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{
"id": "mp-758325",
"created_at": "2022-09-04T14:39:05.683710Z",
"structure_string": "Li8 Cu4 Si4 O16\n1.0\n5.033378 0.000000 0.000000\n0.000000 6.349562 0.000000\n0.000000 0.499798 10.710161\nLi Cu Si O\n8 4 4 16\ndirect\n0.319911 0.006292 0.587251 Li\n0.180089 0.006292 0.087251 Li\n0.317975 0.760773 0.833180 Li\n0.182025 0.760773 0.333180 Li\n0.817975 0.239227 0.666820 Li\n0.682025 0.239227 0.166820 Li\n0.819911 0.993708 0.912749 Li\n0.680089 0.993708 0.412749 Li\n0.278170 0.510484 0.584783 Cu\n0.221830 0.510484 0.084783 Cu\n0.778170 0.489516 0.915217 Cu\n0.721830 0.489516 0.415217 Cu\n0.818245 0.759863 0.665622 Si\n0.681755 0.759863 0.165622 Si\n0.318245 0.240137 0.834378 Si\n0.181755 0.240137 0.334378 Si\n0.714884 0.976056 0.595128 O\n0.785116 0.976056 0.095128 O\n0.708494 0.747140 0.811555 O\n0.148812 0.749047 0.667748 O\n0.791506 0.747140 0.311555 O\n0.351188 0.749047 0.167748 O\n0.710081 0.549869 0.591385 O\n0.789919 0.549869 0.091385 O\n0.210081 0.450131 0.908615 O\n0.289919 0.450131 0.408615 O\n0.648812 0.250953 0.832252 O\n0.208494 0.252860 0.688445 O\n0.851188 0.250953 0.332252 O\n0.291506 0.252860 0.188445 O\n0.214884 0.023944 0.904872 O\n0.285116 0.023944 0.404872 O\n",
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"formula_full": "Li8 Cu4 Si4 O16",
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{
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{
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"structure_string": "Sr28 Ru4 N24\n1.0\n11.883962 0.000000 0.000000\n0.000000 6.693126 0.000000\n0.000000 0.000000 13.968846\nSr Ru N\n28 4 24\ndirect\n0.036052 0.732737 0.981012 Sr\n0.463948 0.767263 0.481012 Sr\n0.536052 0.767263 0.018988 Sr\n0.963948 0.732737 0.518988 Sr\n0.963948 0.267263 0.018988 Sr\n0.536052 0.232737 0.518988 Sr\n0.463948 0.232737 0.981012 Sr\n0.036052 0.267263 0.481012 Sr\n0.218712 0.867154 0.625805 Sr\n0.281288 0.632846 0.125805 Sr\n0.718712 0.632846 0.374195 Sr\n0.781288 0.867154 0.874195 Sr\n0.781288 0.132846 0.374195 Sr\n0.718712 0.367154 0.874195 Sr\n0.281288 0.367154 0.625805 Sr\n0.218712 0.132846 0.125805 Sr\n0.289164 0.607201 0.878504 Sr\n0.210836 0.892799 0.378504 Sr\n0.789164 0.892799 0.121496 Sr\n0.710836 0.607201 0.621496 Sr\n0.710836 0.392799 0.121496 Sr\n0.789164 0.107201 0.621496 Sr\n0.210836 0.107201 0.878504 Sr\n0.289164 0.392799 0.378504 Sr\n0.000000 0.432543 0.750000 Sr\n0.500000 0.067457 0.250000 Sr\n0.000000 0.567457 0.250000 Sr\n0.500000 0.932543 0.750000 Sr\n0.000000 0.923988 0.750000 Ru\n0.500000 0.576012 0.250000 Ru\n0.000000 0.076012 0.250000 Ru\n0.500000 0.423988 0.750000 Ru\n0.123003 0.756377 0.793285 N\n0.376997 0.743623 0.293285 N\n0.623003 0.743623 0.206715 N\n0.876997 0.756377 0.706715 N\n0.876997 0.243623 0.206715 N\n0.623003 0.256377 0.706715 N\n0.376997 0.256377 0.793285 N\n0.123003 0.243623 0.293285 N\n0.166963 0.594041 0.504409 N\n0.333037 0.905959 0.004409 N\n0.666963 0.905959 0.495591 N\n0.833037 0.594041 0.995591 N\n0.833037 0.405959 0.495591 N\n0.666963 0.094041 0.995591 N\n0.333037 0.094041 0.504409 N\n0.166963 0.405959 0.004409 N\n0.465900 0.590366 0.641120 N\n0.034100 0.909634 0.141120 N\n0.965900 0.909634 0.358880 N\n0.534100 0.590366 0.858880 N\n0.534100 0.409634 0.358880 N\n0.965900 0.090366 0.858880 N\n0.034100 0.090366 0.641120 N\n0.465900 0.409634 0.141120 N\n",
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{
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{
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"structure_string": "Bi8 O12\n1.0\n3.886375 -6.731399 0.000000\n3.886375 6.731399 0.000000\n0.000000 0.000000 6.012996\nBi O\n8 12\ndirect\n0.175130 0.350259 0.228808 Bi\n0.175130 0.824870 0.228808 Bi\n0.649741 0.824870 0.228808 Bi\n0.824870 0.649741 0.728808 Bi\n0.824870 0.175130 0.728808 Bi\n0.350259 0.175130 0.728808 Bi\n0.666667 0.333333 0.223162 Bi\n0.333333 0.666667 0.723162 Bi\n0.461603 0.538397 0.503130 O\n0.076794 0.538397 0.503130 O\n0.461603 0.923206 0.503130 O\n0.538397 0.461603 0.003130 O\n0.923206 0.461603 0.003130 O\n0.538397 0.076794 0.003130 O\n0.871449 0.742897 0.340017 O\n0.871449 0.128551 0.340017 O\n0.257103 0.128551 0.340017 O\n0.128551 0.257103 0.840017 O\n0.128551 0.871449 0.840017 O\n0.742897 0.871449 0.840017 O\n",
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"elements": [
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},
{
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],
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{
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"structure_string": "Mg2 Ga4 O8\n1.0\n0.000000 4.228379 4.228379\n4.228379 0.000000 4.228379\n4.228379 4.228379 0.000000\nMg Ga O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.125000 0.125000 0.625000 Ga\n0.125000 0.625000 0.125000 Ga\n0.625000 0.125000 0.125000 Ga\n0.125000 0.125000 0.125000 Ga\n0.886107 0.341678 0.886107 O\n0.363893 0.363893 0.908322 O\n0.363893 0.363893 0.363893 O\n0.908322 0.363893 0.363893 O\n0.886107 0.886107 0.886107 O\n0.341678 0.886107 0.886107 O\n0.363893 0.908322 0.363893 O\n0.886107 0.886107 0.341678 O\n",
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}
]
}