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{
"id": "mp-1209574",
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{
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"structure_string": "La1 Sc1 Au2\n1.0\n-5.338742 6.205739 8.432077\n5.338742 -6.205739 8.432077\n5.338742 6.205739 -8.432077\nLa Sc Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sc\n0.000000 0.243750 0.243750 Au\n0.000000 0.756250 0.756250 Au\n",
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"formula_full": "La1 Sc1 Au2",
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{
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"structure_string": "Ag2 Ge4 N6\n1.0\n5.741689 -0.051092 0.000000\n-2.913836 5.048376 0.000000\n0.000000 0.000000 5.250387\nAg Ge N\n2 4 6\ndirect\n0.000000 0.633514 0.488665 Ag\n0.000000 0.366486 0.988665 Ag\n0.338434 0.321562 0.495401 Ge\n0.661566 0.983129 0.495401 Ge\n0.661566 0.678438 0.995401 Ge\n0.338434 0.016871 0.995401 Ge\n0.409999 0.343772 0.849398 N\n0.590001 0.933774 0.849398 N\n0.590001 0.656228 0.349398 N\n0.409999 0.066226 0.349398 N\n0.000000 0.753702 0.909739 N\n0.000000 0.246298 0.409739 N\n",
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"formula_full": "Ag2 Ge4 N6",
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{
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"created_at": "2022-09-04T14:40:58.156567Z",
"structure_string": "Nd2 Cu18 Sn8\n1.0\n-4.317805 4.317805 6.218071\n4.317805 -4.317805 6.218071\n4.317805 4.317805 -6.218071\nNd Cu Sn\n2 18 8\ndirect\n0.750000 0.750000 0.000000 Nd\n0.250000 0.250000 0.000000 Nd\n0.199115 0.055621 0.254736 Cu\n0.782784 0.064684 0.500000 Cu\n0.717216 0.217216 0.281899 Cu\n0.064684 0.564684 0.281899 Cu\n0.555621 0.699115 0.254736 Cu\n0.699115 0.444379 0.143494 Cu\n0.800885 0.944379 0.745264 Cu\n0.217216 0.935316 0.500000 Cu\n0.055621 0.800885 0.856506 Cu\n0.935316 0.435316 0.718101 Cu\n0.282784 0.782784 0.718101 Cu\n0.944379 0.199115 0.143494 Cu\n0.300885 0.555621 0.856506 Cu\n0.435316 0.717216 0.500000 Cu\n0.444379 0.300885 0.745264 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.564684 0.282784 0.500000 Cu\n0.312353 0.442243 0.500000 Sn\n0.812353 0.312353 0.870110 Sn\n0.687647 0.557757 0.500000 Sn\n0.942243 0.812353 0.500000 Sn\n0.057757 0.187647 0.500000 Sn\n0.557757 0.057757 0.870110 Sn\n0.187647 0.687647 0.129890 Sn\n0.442243 0.942243 0.129890 Sn\n",
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{
"id": "mp-1217890",
"created_at": "2022-09-04T14:40:58.157250Z",
"structure_string": "Ta1 Se1 S1\n1.0\n1.716664 -2.973349 0.000000\n1.716664 2.973349 0.000000\n0.000000 0.000000 6.399950\nTa Se S\n1 1 1\ndirect\n0.666667 0.333333 0.010597 Ta\n0.333333 0.666667 0.743908 Se\n0.000000 0.000000 0.245495 S\n",
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{
"id": "mp-1046446",
"created_at": "2022-09-04T14:40:58.158876Z",
"structure_string": "Sr2 Ca2 Cr2 P4 O16\n1.0\n5.918354 0.000000 0.000000\n-1.032959 6.854199 0.000000\n-2.026711 -3.412919 8.587149\nSr Ca Cr P O\n2 2 2 4 16\ndirect\n0.276592 0.810275 0.061725 Sr\n0.723408 0.189725 0.938275 Sr\n0.001095 0.419004 0.663742 Ca\n0.998905 0.580996 0.336258 Ca\n0.655028 0.843663 0.548483 Cr\n0.344972 0.156337 0.451517 Cr\n0.388297 0.416237 0.227063 P\n0.611703 0.583763 0.772937 P\n0.838937 0.028532 0.293324 P\n0.161063 0.971468 0.706676 P\n0.840053 0.563479 0.881248 O\n0.613086 0.453112 0.172412 O\n0.653231 0.800354 0.755364 O\n0.952860 0.091087 0.694157 O\n0.386914 0.546888 0.827588 O\n0.046048 0.735216 0.602729 O\n0.953952 0.264784 0.397271 O\n0.274146 0.005735 0.877051 O\n0.346769 0.199646 0.244636 O\n0.725854 0.994265 0.122949 O\n0.159947 0.436521 0.118752 O\n0.408362 0.586374 0.389640 O\n0.591638 0.413626 0.610360 O\n0.646561 0.938289 0.359984 O\n0.047140 0.908913 0.305843 O\n0.353439 0.061711 0.640016 O\n",
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{
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"structure_string": "Ge3 Te6 As2\n1.0\n20.479641 -2.089788 0.000000\n20.479641 2.089788 0.000000\n20.266394 0.000000 3.613332\nGe Te As\n3 6 2\ndirect\n0.000000 0.000000 0.000000 Ge\n0.274749 0.274749 0.274749 Ge\n0.725251 0.725251 0.725251 Ge\n0.086049 0.086049 0.086049 Te\n0.913951 0.913951 0.913951 Te\n0.191842 0.191842 0.191842 Te\n0.808158 0.808158 0.808158 Te\n0.361945 0.361945 0.361945 Te\n0.638055 0.638055 0.638055 Te\n0.450399 0.450399 0.450399 As\n0.549601 0.549601 0.549601 As\n",
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{
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"structure_string": "Li2 Co2 C4 O12\n1.0\n5.470221 2.738722 0.000000\n-5.470221 2.738722 0.000000\n0.000000 2.395606 7.993791\nLi Co C O\n2 2 4 12\ndirect\n0.566993 0.680478 0.642655 Li\n0.680478 0.566993 0.142655 Li\n0.987197 0.256123 0.000872 Co\n0.256123 0.987197 0.500872 Co\n0.941311 0.598896 0.781896 C\n0.990516 0.125197 0.714879 C\n0.598896 0.941311 0.281896 C\n0.125197 0.990516 0.214879 C\n0.871792 0.468445 0.943408 O\n0.169874 0.340639 0.770493 O\n0.744884 0.924995 0.803813 O\n0.772909 0.507740 0.692320 O\n0.200445 0.838597 0.727323 O\n0.078789 0.137192 0.557882 O\n0.468445 0.871792 0.443408 O\n0.924995 0.744884 0.303813 O\n0.340639 0.169874 0.270493 O\n0.507740 0.772909 0.192320 O\n0.838597 0.200445 0.227323 O\n0.137192 0.078789 0.057882 O\n",
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{
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"structure_string": "Tb2 Si6 Ni16\n1.0\n6.807647 3.153821 0.000000\n-6.807647 3.153821 0.000000\n0.000000 3.007135 6.852162\nTb Si Ni\n2 6 16\ndirect\n0.369571 0.630429 0.250000 Tb\n0.630429 0.369571 0.750000 Tb\n0.816099 0.723615 0.324357 Si\n0.276385 0.183901 0.175643 Si\n0.183901 0.276385 0.675643 Si\n0.723615 0.816099 0.824357 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.137619 0.799602 0.421871 Ni\n0.200398 0.862381 0.078129 Ni\n0.862381 0.200398 0.578129 Ni\n0.799602 0.137619 0.921871 Ni\n0.851879 0.432939 0.327909 Ni\n0.567061 0.148121 0.172091 Ni\n0.148121 0.567061 0.672091 Ni\n0.432939 0.851879 0.827909 Ni\n0.710451 0.560300 0.068758 Ni\n0.439700 0.289549 0.431242 Ni\n0.289549 0.439700 0.931242 Ni\n0.560300 0.710451 0.568758 Ni\n0.877261 0.122739 0.250000 Ni\n0.122739 0.877261 0.750000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:40:58.190435Z",
"structure_string": "La8 Te16\n1.0\n9.144266 0.000000 0.000000\n0.000000 9.144266 0.000000\n0.000000 0.000000 9.293205\nLa Te\n8 16\ndirect\n0.256359 0.756359 0.273941 La\n0.000000 0.500000 0.726986 La\n0.000000 0.000000 0.725947 La\n0.500000 0.000000 0.726986 La\n0.243641 0.256359 0.273941 La\n0.743641 0.243641 0.273941 La\n0.500000 0.500000 0.725947 La\n0.756359 0.743641 0.273941 La\n0.513163 0.751540 0.000216 Te\n0.248460 0.513163 0.000216 Te\n0.749928 0.750072 0.633780 Te\n0.500000 0.500000 0.366402 Te\n0.750072 0.250072 0.633780 Te\n0.748460 0.986837 0.000216 Te\n0.500000 0.000000 0.366772 Te\n0.000000 0.500000 0.366772 Te\n0.251540 0.013163 0.000216 Te\n0.751540 0.486837 0.000216 Te\n0.000000 0.000000 0.366402 Te\n0.013163 0.748460 0.000216 Te\n0.986837 0.251540 0.000216 Te\n0.486837 0.248460 0.000216 Te\n0.250072 0.249928 0.633780 Te\n0.249928 0.749928 0.633780 Te\n",
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{
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{
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}