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{
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{
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{
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{
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{
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{
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{
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"structure_string": "Mg2 Ti22 O40\n1.0\n10.046908 0.000000 0.000000\n0.000000 7.561047 0.000000\n0.000000 3.578312 9.975725\nMg Ti O\n2 22 40\ndirect\n0.250000 0.347535 0.771755 Mg\n0.750000 0.652465 0.228245 Mg\n0.941023 0.317647 0.726856 Ti\n0.558977 0.317647 0.726856 Ti\n0.750000 0.651623 0.729721 Ti\n0.060926 0.680976 0.774879 Ti\n0.439074 0.680976 0.774879 Ti\n0.560967 0.815426 0.976809 Ti\n0.560926 0.319024 0.225121 Ti\n0.939033 0.815426 0.976809 Ti\n0.939074 0.319024 0.225121 Ti\n0.250000 0.348377 0.270279 Ti\n0.250000 0.849758 0.020374 Ti\n0.750000 0.150242 0.979626 Ti\n0.058977 0.682353 0.273144 Ti\n0.060967 0.184574 0.023191 Ti\n0.441023 0.682353 0.273144 Ti\n0.439033 0.184574 0.023191 Ti\n0.938929 0.816633 0.474462 Ti\n0.561071 0.816633 0.474462 Ti\n0.250000 0.844666 0.523552 Ti\n0.750000 0.155334 0.476448 Ti\n0.061071 0.183367 0.525538 Ti\n0.438929 0.183367 0.525538 Ti\n0.385782 0.272590 0.659052 O\n0.114218 0.272590 0.659052 O\n0.930143 0.594396 0.638872 O\n0.569857 0.594396 0.638872 O\n0.750000 0.365784 0.800072 O\n0.250000 0.641573 0.698808 O\n0.066923 0.406669 0.859669 O\n0.433077 0.406669 0.859669 O\n0.620414 0.726020 0.838387 O\n0.879586 0.726020 0.838387 O\n0.379586 0.273980 0.161613 O\n0.120414 0.273980 0.161613 O\n0.120637 0.775188 0.911599 O\n0.379363 0.775188 0.911599 O\n0.569063 0.092803 0.889852 O\n0.930937 0.092803 0.889852 O\n0.933077 0.593331 0.140331 O\n0.566923 0.593331 0.140331 O\n0.750000 0.358427 0.301192 O\n0.750000 0.872051 0.044611 O\n0.250000 0.634216 0.199928 O\n0.250000 0.127949 0.955389 O\n0.069857 0.405604 0.361128 O\n0.430143 0.405604 0.361128 O\n0.069063 0.907197 0.110148 O\n0.430937 0.907197 0.110148 O\n0.614218 0.727410 0.340948 O\n0.620637 0.224812 0.088401 O\n0.879363 0.224812 0.088401 O\n0.885782 0.727410 0.340948 O\n0.380054 0.774117 0.411901 O\n0.119946 0.774117 0.411901 O\n0.569044 0.092706 0.390945 O\n0.930956 0.092706 0.390945 O\n0.750000 0.867200 0.549082 O\n0.250000 0.132800 0.450918 O\n0.069044 0.907294 0.609055 O\n0.430956 0.907294 0.609055 O\n0.619946 0.225883 0.588099 O\n0.880054 0.225883 0.588099 O\n",
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{
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"elements": [
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},
{
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"structure_string": "Ca6 Cu6 Bi12 O42\n1.0\n9.147986 0.000000 0.000000\n0.000000 10.400087 0.000000\n0.000000 1.297817 11.461333\nCa Cu Bi O\n6 6 12 42\ndirect\n0.475662 0.825321 0.583140 Ca\n0.966093 0.500000 0.750000 Ca\n0.475662 0.174679 0.916860 Ca\n0.033907 0.500000 0.250000 Ca\n0.524338 0.174679 0.416860 Ca\n0.524338 0.825321 0.083140 Ca\n0.900968 0.216639 0.408459 Cu\n0.099032 0.783361 0.591541 Cu\n0.402626 0.500000 0.250000 Cu\n0.900968 0.783361 0.091541 Cu\n0.597374 0.500000 0.750000 Cu\n0.099032 0.216639 0.908459 Cu\n0.185037 0.815179 0.312162 Bi\n0.774716 0.857289 0.381091 Bi\n0.225284 0.857289 0.881091 Bi\n0.814963 0.815179 0.812162 Bi\n0.301538 0.505519 0.974780 Bi\n0.774716 0.142711 0.118909 Bi\n0.698462 0.505519 0.474780 Bi\n0.225284 0.142711 0.618909 Bi\n0.301538 0.494481 0.525220 Bi\n0.698462 0.494481 0.025220 Bi\n0.814963 0.184821 0.687838 Bi\n0.185037 0.184821 0.187838 Bi\n0.746473 0.746447 0.994644 O\n0.768591 0.153326 0.301986 O\n0.898009 0.000000 0.750000 O\n0.888227 0.467468 0.106796 O\n0.374643 0.034191 0.539197 O\n0.946622 0.725982 0.694627 O\n0.354099 0.704660 0.961771 O\n0.111773 0.467468 0.606796 O\n0.745285 0.547513 0.847785 O\n0.374643 0.965809 0.960803 O\n0.745285 0.452487 0.652215 O\n0.479383 0.441044 0.880065 O\n0.995616 0.168332 0.051642 O\n0.053378 0.725982 0.194627 O\n0.645901 0.295340 0.038229 O\n0.354099 0.295340 0.538229 O\n0.946622 0.274018 0.805373 O\n0.625357 0.965809 0.460803 O\n0.253527 0.746447 0.494644 O\n0.520617 0.558956 0.119935 O\n0.388229 0.186222 0.253824 O\n0.254715 0.452487 0.152215 O\n0.004384 0.168332 0.551642 O\n0.254715 0.547513 0.347785 O\n0.888227 0.532532 0.393204 O\n0.520617 0.441044 0.380065 O\n0.111773 0.532532 0.893204 O\n0.611771 0.186222 0.753824 O\n0.611771 0.813778 0.746176 O\n0.004384 0.831668 0.948358 O\n0.053378 0.274018 0.305373 O\n0.746473 0.253553 0.505356 O\n0.101991 0.000000 0.250000 O\n0.231409 0.153326 0.801986 O\n0.625357 0.034191 0.039197 O\n0.995616 0.831668 0.448358 O\n0.253527 0.253553 0.005356 O\n0.768591 0.846674 0.198014 O\n0.479383 0.558956 0.619935 O\n0.645901 0.704660 0.461771 O\n0.231409 0.846674 0.698014 O\n0.388229 0.813778 0.246176 O\n",
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"formula_full": "Ca6 Cu6 Bi12 O42",
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"updated_at": "2021-11-28T01:34:38.473000Z",
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}
]
}