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{
"id": "mp-766885",
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"structure_string": "Sb18 P6 O42\n1.0\n6.794550 6.773369 0.000000\n-6.794550 6.773369 0.000000\n0.000000 4.226541 11.767947\nSb P O\n18 6 42\ndirect\n0.123750 0.439422 0.048835 Sb\n0.439422 0.123750 0.048835 Sb\n0.179108 0.485948 0.377198 Sb\n0.485948 0.179108 0.377198 Sb\n0.196457 0.822727 0.178441 Sb\n0.822727 0.196457 0.178441 Sb\n0.534061 0.222537 0.728536 Sb\n0.222537 0.534061 0.728536 Sb\n0.116333 0.819304 0.496337 Sb\n0.819304 0.116333 0.496337 Sb\n0.174314 0.834722 0.837331 Sb\n0.834722 0.174314 0.837331 Sb\n0.819725 0.485793 0.324852 Sb\n0.485793 0.819725 0.324852 Sb\n0.510119 0.873725 0.623739 Sb\n0.873725 0.510119 0.623739 Sb\n0.483890 0.838341 0.926352 Sb\n0.838341 0.483890 0.926352 Sb\n0.167584 0.167584 0.285675 P\n0.174893 0.174893 0.914768 P\n0.504233 0.504233 0.461491 P\n0.478174 0.478174 0.876734 P\n0.858123 0.858123 0.350114 P\n0.821644 0.821644 0.726616 P\n0.071766 0.071766 0.396324 O\n0.263288 0.073379 0.216100 O\n0.073379 0.263288 0.216100 O\n0.073792 0.073792 0.885625 O\n0.272064 0.272064 0.316279 O\n0.600036 0.162875 0.226501 O\n0.162875 0.600036 0.226501 O\n0.078471 0.264159 0.991090 O\n0.264159 0.078471 0.991090 O\n0.274210 0.274210 0.809800 O\n0.081502 0.593436 0.558927 O\n0.593436 0.081502 0.558927 O\n0.403070 0.403070 0.561290 O\n0.500006 0.500006 0.339731 O\n0.546979 0.081567 0.886197 O\n0.081567 0.546979 0.886197 O\n0.263144 0.775656 0.338342 O\n0.775656 0.263144 0.338342 O\n0.369913 0.369913 0.975160 O\n0.890347 0.417852 0.095426 O\n0.417852 0.890347 0.095426 O\n0.225782 0.754689 0.691001 O\n0.754689 0.225782 0.691001 O\n0.665221 0.470273 0.472880 O\n0.470273 0.665221 0.472880 O\n0.579405 0.392314 0.799956 O\n0.392314 0.579405 0.799956 O\n0.764101 0.271386 0.970987 O\n0.271386 0.764101 0.970987 O\n0.963390 0.428760 0.421733 O\n0.428760 0.963390 0.421733 O\n0.751989 0.751989 0.332723 O\n0.570392 0.570392 0.920340 O\n0.926869 0.389175 0.767801 O\n0.389175 0.926869 0.767801 O\n0.954802 0.766866 0.424477 O\n0.766866 0.954802 0.424477 O\n0.849992 0.660656 0.722558 O\n0.660656 0.849992 0.722558 O\n0.952013 0.952013 0.240574 O\n0.846875 0.846875 0.834371 O\n0.917553 0.917553 0.612871 O\n",
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"updated_at": "2021-11-28T01:36:03.104000Z",
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{
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"created_at": "2022-09-04T14:43:00.016304Z",
"structure_string": "Ba2 Cu1 Ag3 Sn2 S8\n1.0\n6.495028 0.000000 0.000000\n2.437830 6.042191 0.000000\n1.935712 1.259104 10.536822\nBa Cu Ag Sn S\n2 1 3 2 8\ndirect\n0.998840 0.998933 0.000739 Ba\n0.500193 0.500414 0.498504 Ba\n0.903033 0.901646 0.402598 Cu\n0.597469 0.594232 0.099666 Ag\n0.097959 0.100713 0.595255 Ag\n0.400962 0.401779 0.901480 Ag\n0.754036 0.751570 0.746197 Sn\n0.245848 0.248538 0.253885 Sn\n0.759384 0.371973 0.766473 S\n0.224550 0.875959 0.278236 S\n0.539022 0.924316 0.935045 S\n0.038763 0.437676 0.436572 S\n0.629570 0.234691 0.236644 S\n0.134065 0.745030 0.732995 S\n0.072378 0.458369 0.066038 S\n0.603927 0.954162 0.549672 S\n",
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"formula_full": "Ba2 Cu1 Ag3 Sn2 S8",
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{
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"structure_string": "Ba3 Y2 Cu2 Pt1 O10\n1.0\n2.938398 6.302432 0.000000\n-2.938398 6.302432 0.000000\n0.000000 2.016739 7.256242\nBa Y Cu Pt O\n3 2 2 1 10\ndirect\n0.153219 0.153219 0.459558 Ba\n0.000000 0.000000 0.000000 Ba\n0.846781 0.846781 0.540442 Ba\n0.311255 0.311255 0.873730 Y\n0.688745 0.688745 0.126270 Y\n0.410573 0.410573 0.199883 Cu\n0.589427 0.589427 0.800117 Cu\n0.500000 0.500000 0.500000 Pt\n0.332522 0.332522 0.552085 O\n0.667478 0.667478 0.447915 O\n0.911488 0.454114 0.875291 O\n0.545886 0.088512 0.124709 O\n0.088512 0.545886 0.124709 O\n0.454114 0.911488 0.875291 O\n0.737557 0.296443 0.282363 O\n0.703557 0.262443 0.717637 O\n0.296443 0.737557 0.282363 O\n0.262443 0.703557 0.717637 O\n",
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{
"id": "mp-707169",
"created_at": "2022-09-04T14:42:59.599111Z",
"structure_string": "Cu8 H32 C24 Cl8 O16\n1.0\n6.360270 0.000000 0.000000\n0.000000 8.800446 0.000000\n0.000000 0.000000 20.733086\nCu H C Cl O\n8 32 24 8 16\ndirect\n0.871561 0.345127 0.321559 Cu\n0.628439 0.845127 0.678441 Cu\n0.371561 0.654873 0.178441 Cu\n0.128439 0.154873 0.821559 Cu\n0.128439 0.654873 0.678441 Cu\n0.371561 0.154873 0.321559 Cu\n0.628439 0.345127 0.821559 Cu\n0.871561 0.845127 0.178441 Cu\n0.608523 0.396574 0.507674 H\n0.891477 0.896574 0.492326 H\n0.108523 0.603426 0.992326 H\n0.391477 0.103426 0.007674 H\n0.391477 0.603426 0.492326 H\n0.108523 0.103426 0.507674 H\n0.891477 0.396574 0.007674 H\n0.608523 0.896574 0.992326 H\n0.842933 0.624503 0.350593 H\n0.657067 0.124503 0.649407 H\n0.342933 0.375497 0.149407 H\n0.157067 0.875497 0.850593 H\n0.157067 0.375497 0.649407 H\n0.342933 0.875497 0.350593 H\n0.657067 0.624503 0.850593 H\n0.842933 0.124503 0.149407 H\n0.091546 0.377031 0.425868 H\n0.408454 0.877031 0.574132 H\n0.591546 0.622969 0.074132 H\n0.908454 0.122969 0.925868 H\n0.908454 0.622969 0.574132 H\n0.591546 0.122969 0.425868 H\n0.408454 0.377031 0.925868 H\n0.091546 0.877031 0.074132 H\n0.191323 0.494285 0.357812 H\n0.308677 0.994285 0.642188 H\n0.691323 0.505715 0.142188 H\n0.808677 0.005715 0.857812 H\n0.808677 0.505715 0.642188 H\n0.691323 0.005715 0.357812 H\n0.308677 0.494285 0.857812 H\n0.191323 0.994285 0.142188 H\n0.698907 0.510509 0.432047 C\n0.801093 0.010509 0.567953 C\n0.198907 0.489491 0.067953 C\n0.301093 0.989491 0.932047 C\n0.301093 0.489491 0.567953 C\n0.198907 0.989491 0.432047 C\n0.801093 0.510509 0.932047 C\n0.698907 0.010509 0.067953 C\n0.864523 0.526806 0.382249 C\n0.635477 0.026806 0.617751 C\n0.364523 0.473194 0.117751 C\n0.135477 0.973194 0.882249 C\n0.135477 0.473194 0.617751 C\n0.364523 0.973194 0.382249 C\n0.635477 0.526806 0.882249 C\n0.864523 0.026806 0.117751 C\n0.057497 0.453128 0.385698 C\n0.442503 0.953128 0.614302 C\n0.557497 0.546872 0.114302 C\n0.942503 0.046872 0.885698 C\n0.942503 0.546872 0.614302 C\n0.557497 0.046872 0.385698 C\n0.442503 0.453128 0.885698 C\n0.057497 0.953128 0.114302 C\n0.047555 0.152734 0.276034 Cl\n0.452445 0.652734 0.723966 Cl\n0.547555 0.847266 0.223966 Cl\n0.952445 0.347266 0.776034 Cl\n0.952445 0.847266 0.723966 Cl\n0.547555 0.347266 0.276034 Cl\n0.452445 0.152734 0.776034 Cl\n0.047555 0.652734 0.223966 Cl\n0.721092 0.393466 0.471791 O\n0.778908 0.893466 0.528209 O\n0.221092 0.606534 0.028209 O\n0.278908 0.106534 0.971791 O\n0.278908 0.606534 0.528209 O\n0.221092 0.106534 0.471791 O\n0.778908 0.393466 0.971791 O\n0.721092 0.893466 0.028209 O\n0.553057 0.604636 0.435628 O\n0.946943 0.104636 0.564372 O\n0.053057 0.395364 0.064372 O\n0.446943 0.895364 0.935628 O\n0.446943 0.395364 0.564372 O\n0.053057 0.895364 0.435628 O\n0.946943 0.604636 0.935628 O\n0.553057 0.104636 0.064372 O\n",
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{
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"structure_string": "Os4 S8\n1.0\n5.664152 0.000000 0.000000\n0.000000 5.664152 0.000000\n0.000000 0.000000 5.664152\nOs S\n4 8\ndirect\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.384043 0.115957 0.884043 S\n0.115957 0.884043 0.384043 S\n0.884043 0.384043 0.115957 S\n0.615957 0.615957 0.615957 S\n0.384043 0.384043 0.384043 S\n0.115957 0.615957 0.884043 S\n0.884043 0.115957 0.615957 S\n0.615957 0.884043 0.115957 S\n",
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{
"id": "mp-1195528",
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"structure_string": "Rb4 Th2 Mo6 O24\n1.0\n6.367794 9.225871 0.000000\n-6.367794 9.225871 0.000000\n0.000000 1.416574 5.289068\nRb Th Mo O\n4 2 6 24\ndirect\n0.543814 0.789280 0.070807 Rb\n0.210720 0.456186 0.429193 Rb\n0.456186 0.210720 0.929193 Rb\n0.789280 0.543814 0.570807 Rb\n0.123998 0.876002 0.250000 Th\n0.876002 0.123998 0.750000 Th\n0.345381 0.654619 0.750000 Mo\n0.654619 0.345381 0.250000 Mo\n0.256231 0.046343 0.605467 Mo\n0.953657 0.743769 0.894533 Mo\n0.743769 0.953657 0.394533 Mo\n0.046343 0.256231 0.105467 Mo\n0.110312 0.031382 0.853956 O\n0.968618 0.889688 0.646044 O\n0.889688 0.968618 0.146044 O\n0.031382 0.110312 0.353956 O\n0.284237 0.926850 0.398685 O\n0.073150 0.715763 0.101315 O\n0.715763 0.073150 0.601315 O\n0.926850 0.284237 0.898685 O\n0.225583 0.698159 0.532093 O\n0.301841 0.774417 0.967907 O\n0.774417 0.301841 0.467907 O\n0.698159 0.225583 0.032093 O\n0.394926 0.007679 0.741742 O\n0.992321 0.605074 0.758258 O\n0.605074 0.992321 0.258258 O\n0.007679 0.394926 0.241742 O\n0.240831 0.192975 0.398735 O\n0.807025 0.759169 0.101265 O\n0.759169 0.807025 0.601265 O\n0.192975 0.240831 0.898735 O\n0.499121 0.646304 0.580971 O\n0.353696 0.500879 0.919029 O\n0.500879 0.353696 0.419029 O\n0.646304 0.499121 0.080971 O\n",
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{
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"structure_string": "V12 Ga8\n1.0\n6.546217 0.000000 0.000000\n0.000000 6.546217 0.000000\n0.000000 0.000000 6.546217\nV Ga\n12 8\ndirect\n0.793409 0.956591 0.375000 V\n0.706591 0.043409 0.875000 V\n0.206591 0.456591 0.125000 V\n0.293409 0.543409 0.625000 V\n0.956591 0.375000 0.793409 V\n0.043409 0.875000 0.706591 V\n0.456591 0.125000 0.206591 V\n0.543409 0.625000 0.293409 V\n0.375000 0.793409 0.956591 V\n0.875000 0.706591 0.043409 V\n0.125000 0.206591 0.456591 V\n0.625000 0.293409 0.543409 V\n0.187852 0.812148 0.312148 Ga\n0.312148 0.187852 0.812148 Ga\n0.812148 0.312148 0.187852 Ga\n0.687852 0.687852 0.687852 Ga\n0.562148 0.437852 0.937852 Ga\n0.437852 0.937852 0.562148 Ga\n0.937852 0.562148 0.437852 Ga\n0.062148 0.062148 0.062148 Ga\n",
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{
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{
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}