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{
"id": "mp-974057",
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{
"id": "mp-568611",
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"structure_string": "K12 Cu12 P12 Se36\n1.0\n10.833894 0.000000 0.000000\n0.000000 8.867842 0.000000\n0.000000 1.046927 20.200680\nK Cu P Se\n12 12 12 36\ndirect\n0.703497 0.477768 0.508327 K\n0.491506 0.853325 0.897748 K\n0.203497 0.522232 0.991673 K\n0.508494 0.146675 0.102252 K\n0.991506 0.146675 0.602252 K\n0.008494 0.853325 0.397748 K\n0.796503 0.477768 0.008327 K\n0.174748 0.194353 0.793011 K\n0.296503 0.522232 0.491673 K\n0.325252 0.194353 0.293011 K\n0.674748 0.805647 0.706989 K\n0.825252 0.805647 0.206989 K\n0.992826 0.824472 0.863339 Cu\n0.641947 0.470188 0.274120 Cu\n0.358053 0.529812 0.725880 Cu\n0.706680 0.135269 0.392038 Cu\n0.492826 0.175528 0.636661 Cu\n0.007174 0.175528 0.136661 Cu\n0.293320 0.864731 0.607962 Cu\n0.206680 0.864731 0.107962 Cu\n0.858053 0.470188 0.774120 Cu\n0.141947 0.529812 0.225880 Cu\n0.507174 0.824472 0.363339 Cu\n0.793320 0.135269 0.892038 Cu\n0.943626 0.395301 0.356520 P\n0.556374 0.395301 0.856520 P\n0.056374 0.604699 0.643480 P\n0.406794 0.732007 0.237204 P\n0.443626 0.604699 0.143480 P\n0.580723 0.930851 0.521698 P\n0.093206 0.732007 0.737204 P\n0.593206 0.267993 0.762796 P\n0.906794 0.267993 0.262796 P\n0.419277 0.069149 0.478302 P\n0.080723 0.069149 0.978302 P\n0.919277 0.930851 0.021698 P\n0.802787 0.578664 0.348525 Se\n0.450675 0.563945 0.321128 Se\n0.314342 0.131183 0.568772 Se\n0.138343 0.471100 0.348502 Se\n0.535783 0.924829 0.242968 Se\n0.197213 0.421336 0.651475 Se\n0.035783 0.075171 0.257032 Se\n0.599946 0.228698 0.939219 Se\n0.292498 0.796043 0.727019 Se\n0.707502 0.203957 0.272981 Se\n0.302787 0.421336 0.151475 Se\n0.099946 0.771302 0.560781 Se\n0.950675 0.436055 0.178872 Se\n0.400054 0.771302 0.060781 Se\n0.319515 0.916763 0.413446 Se\n0.964217 0.924829 0.742968 Se\n0.361657 0.471100 0.848502 Se\n0.207502 0.796043 0.227019 Se\n0.680485 0.083237 0.586554 Se\n0.464217 0.075171 0.757032 Se\n0.185658 0.131183 0.068772 Se\n0.990890 0.262271 0.923390 Se\n0.638343 0.528900 0.151498 Se\n0.180485 0.916763 0.913446 Se\n0.049325 0.563945 0.821128 Se\n0.900054 0.228698 0.439219 Se\n0.509110 0.262271 0.423390 Se\n0.819515 0.083237 0.086554 Se\n0.792498 0.203957 0.772981 Se\n0.009110 0.737729 0.076610 Se\n0.685658 0.868817 0.431228 Se\n0.861657 0.528900 0.651498 Se\n0.814342 0.868817 0.931228 Se\n0.549325 0.436055 0.678872 Se\n0.490890 0.737729 0.576610 Se\n0.697213 0.578664 0.848525 Se\n",
"nsites": 72,
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"elements": [
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"formula_full": "K12 Cu12 P12 Se36",
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},
{
"id": "mp-571061",
"created_at": "2022-09-04T14:40:09.600356Z",
"structure_string": "Nb12 Se40 Cl12\n1.0\n19.292865 0.000000 0.000000\n0.000000 7.811681 0.000000\n0.000000 1.674716 12.405823\nNb Se Cl\n12 40 12\ndirect\n0.148799 0.846759 0.157900 Nb\n0.500258 0.245567 0.749319 Nb\n0.499742 0.754433 0.250681 Nb\n0.851201 0.153241 0.842100 Nb\n0.351201 0.846759 0.157900 Nb\n0.351558 0.331860 0.655198 Nb\n0.000258 0.754433 0.250681 Nb\n0.648799 0.153241 0.842100 Nb\n0.999742 0.245567 0.749319 Nb\n0.148442 0.331860 0.655198 Nb\n0.648442 0.668140 0.344802 Nb\n0.851558 0.668140 0.344802 Nb\n0.925973 0.951399 0.739642 Se\n0.462985 0.539988 0.629561 Se\n0.087518 0.492932 0.800526 Se\n0.428741 0.082155 0.604517 Se\n0.571259 0.917845 0.395483 Se\n0.250000 0.370111 0.802204 Se\n0.914191 0.449035 0.850742 Se\n0.750000 0.266707 0.970243 Se\n0.085809 0.550965 0.149258 Se\n0.750000 0.395232 0.790779 Se\n0.250000 0.604768 0.209221 Se\n0.535689 0.212795 0.957228 Se\n0.250000 0.578962 0.649932 Se\n0.111247 0.046622 0.785627 Se\n0.037015 0.539988 0.629561 Se\n0.912482 0.507068 0.199474 Se\n0.886684 0.207906 0.633506 Se\n0.386684 0.792094 0.366494 Se\n0.962985 0.460012 0.370439 Se\n0.537015 0.460012 0.370439 Se\n0.425973 0.048601 0.260358 Se\n0.613316 0.207906 0.633506 Se\n0.750000 0.629889 0.197796 Se\n0.587518 0.507068 0.199474 Se\n0.964311 0.212795 0.957228 Se\n0.071259 0.082155 0.604517 Se\n0.414191 0.550965 0.149258 Se\n0.250000 0.733293 0.029757 Se\n0.750000 0.421038 0.350068 Se\n0.113316 0.792094 0.366494 Se\n0.585809 0.449035 0.850742 Se\n0.412482 0.492932 0.800526 Se\n0.611247 0.953378 0.214373 Se\n0.928741 0.917845 0.395483 Se\n0.464311 0.787205 0.042772 Se\n0.035689 0.787205 0.042772 Se\n0.888753 0.953378 0.214373 Se\n0.074027 0.048601 0.260358 Se\n0.574027 0.951399 0.739642 Se\n0.388753 0.046622 0.785627 Se\n0.149568 0.108479 0.015197 Cl\n0.149039 0.416565 0.453439 Cl\n0.649039 0.583435 0.546561 Cl\n0.750000 0.858034 0.397019 Cl\n0.350432 0.108479 0.015197 Cl\n0.649568 0.891521 0.984803 Cl\n0.350961 0.416565 0.453439 Cl\n0.850432 0.891521 0.984803 Cl\n0.750000 0.982057 0.773109 Cl\n0.850961 0.583435 0.546561 Cl\n0.250000 0.017943 0.226891 Cl\n0.250000 0.141966 0.602981 Cl\n",
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"volume": 1869.677948878811,
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{
"id": "mp-555090",
"created_at": "2022-09-04T14:40:14.847253Z",
"structure_string": "Li4 B4 S16 Cl16 O48\n1.0\n8.633715 0.000000 0.000000\n0.000000 9.055733 0.000000\n0.000000 0.585562 21.283746\nLi B S Cl O\n4 4 16 16 48\ndirect\n0.249678 0.088744 0.438457 Li\n0.750322 0.911256 0.561543 Li\n0.749678 0.911256 0.061543 Li\n0.250322 0.088744 0.938457 Li\n0.744904 0.349177 0.088413 B\n0.255096 0.650823 0.911587 B\n0.755096 0.349177 0.588413 B\n0.244904 0.650823 0.411587 B\n0.981264 0.811060 0.438715 S\n0.178692 0.397772 0.350486 S\n0.893550 0.225358 0.986738 S\n0.018736 0.188940 0.561285 S\n0.321308 0.397772 0.850486 S\n0.374429 0.852562 0.327968 S\n0.393550 0.774642 0.513262 S\n0.106450 0.774642 0.013262 S\n0.606450 0.225358 0.486738 S\n0.821308 0.602228 0.649514 S\n0.125571 0.852562 0.827968 S\n0.625571 0.147438 0.672032 S\n0.874429 0.147438 0.172032 S\n0.518736 0.811060 0.938715 S\n0.678692 0.602228 0.149514 S\n0.481264 0.188940 0.061285 S\n0.671685 0.753173 0.872131 Cl\n0.828315 0.753173 0.372131 Cl\n0.200530 0.641651 0.081083 Cl\n0.749037 0.061065 0.744901 Cl\n0.250963 0.938935 0.255099 Cl\n0.750963 0.061065 0.244901 Cl\n0.700530 0.358349 0.418917 Cl\n0.176020 0.428496 0.776283 Cl\n0.249037 0.938935 0.755099 Cl\n0.823980 0.571504 0.223717 Cl\n0.171685 0.246827 0.627869 Cl\n0.676020 0.571504 0.723717 Cl\n0.299470 0.641651 0.581083 Cl\n0.328315 0.246827 0.127869 Cl\n0.323980 0.428496 0.276283 Cl\n0.799470 0.358349 0.918917 Cl\n0.406231 0.677252 0.942814 O\n0.245014 0.733834 0.851098 O\n0.192943 0.245565 0.370029 O\n0.093769 0.677252 0.442814 O\n0.556150 0.056820 0.084578 O\n0.030734 0.457274 0.333146 O\n0.299000 0.905325 0.509314 O\n0.799000 0.094675 0.990686 O\n0.201000 0.905325 0.009314 O\n0.601345 0.810296 0.997052 O\n0.944427 0.786990 0.026489 O\n0.745014 0.266166 0.648902 O\n0.692943 0.754435 0.129971 O\n0.489930 0.215057 0.696948 O\n0.989930 0.784943 0.803052 O\n0.758932 0.509762 0.097961 O\n0.307057 0.245565 0.870029 O\n0.258932 0.490238 0.402039 O\n0.056150 0.943180 0.415422 O\n0.701000 0.094675 0.490686 O\n0.510070 0.784943 0.303052 O\n0.530734 0.542726 0.166854 O\n0.807057 0.754435 0.629971 O\n0.555573 0.786990 0.526489 O\n0.101345 0.189704 0.502948 O\n0.469266 0.457274 0.833146 O\n0.741068 0.509762 0.597961 O\n0.943850 0.056820 0.584578 O\n0.254986 0.733834 0.351098 O\n0.391693 0.966054 0.373709 O\n0.969266 0.542726 0.666854 O\n0.620827 0.318563 0.546463 O\n0.891693 0.033946 0.126291 O\n0.906231 0.322748 0.557186 O\n0.398655 0.189704 0.002948 O\n0.608307 0.033946 0.626291 O\n0.879173 0.318563 0.046463 O\n0.241068 0.490238 0.902039 O\n0.379173 0.681437 0.453537 O\n0.754986 0.266166 0.148902 O\n0.108307 0.966054 0.873709 O\n0.444427 0.213010 0.473511 O\n0.010070 0.215057 0.196948 O\n0.443850 0.943180 0.915422 O\n0.898655 0.810296 0.497052 O\n0.593769 0.322748 0.057186 O\n0.120827 0.681437 0.953537 O\n0.055573 0.213010 0.973511 O\n",
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{
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{
"id": "mp-1197091",
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"structure_string": "Ta16 Ni4 Te16\n1.0\n4.757170 0.000000 0.000000\n0.000000 10.781237 0.000000\n0.000000 0.000000 18.658014\nTa Ni Te\n16 4 16\ndirect\n0.500000 0.566183 0.380940 Ta\n0.500000 0.433817 0.619060 Ta\n0.500000 0.066183 0.119060 Ta\n0.500000 0.933817 0.880940 Ta\n0.500000 0.708025 0.536949 Ta\n0.500000 0.291975 0.463051 Ta\n0.500000 0.208025 0.963051 Ta\n0.500000 0.791975 0.036949 Ta\n0.000000 0.692813 0.441942 Ta\n0.000000 0.307187 0.558058 Ta\n0.000000 0.192813 0.058058 Ta\n0.000000 0.807187 0.941942 Ta\n0.000000 0.399021 0.389570 Ta\n0.000000 0.600979 0.610430 Ta\n0.000000 0.899021 0.110430 Ta\n0.000000 0.100979 0.889570 Ta\n0.250252 0.500000 0.500000 Ni\n0.749748 0.000000 0.000000 Ni\n0.749748 0.500000 0.500000 Ni\n0.250252 0.000000 0.000000 Ni\n0.000000 0.855572 0.564858 Te\n0.000000 0.144428 0.435142 Te\n0.000000 0.355572 0.935142 Te\n0.000000 0.644428 0.064858 Te\n0.500000 0.329415 0.311146 Te\n0.500000 0.670585 0.688854 Te\n0.500000 0.829415 0.188854 Te\n0.500000 0.170585 0.811146 Te\n0.500000 0.831126 0.399875 Te\n0.500000 0.168874 0.600125 Te\n0.500000 0.331126 0.100125 Te\n0.500000 0.668874 0.899875 Te\n0.000000 0.609677 0.295478 Te\n0.000000 0.390323 0.704522 Te\n0.000000 0.109677 0.204522 Te\n0.000000 0.890323 0.795478 Te\n",
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{
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