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{
"id": "mp-1190459",
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"structure_string": "Na2 As2 O12\n1.0\n0.000000 -4.603540 0.000000\n-6.237031 0.000000 -0.093254\n-1.137323 0.000000 -8.565383\nNa As O\n2 2 12\ndirect\n0.088294 0.734326 0.049460 Na\n0.588294 0.265674 0.950540 Na\n0.358166 0.865028 0.426723 As\n0.858166 0.134972 0.573277 As\n0.309690 0.948795 0.219483 O\n0.809690 0.051205 0.780517 O\n0.488472 0.108541 0.504024 O\n0.988472 0.891459 0.495976 O\n0.105319 0.296891 0.053825 O\n0.605319 0.703109 0.946175 O\n0.016529 0.121152 0.145329 O\n0.516529 0.878848 0.854671 O\n0.103150 0.508204 0.758411 O\n0.603150 0.491796 0.241589 O\n0.864380 0.493791 0.284325 O\n0.364380 0.506209 0.715675 O\n",
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{
"id": "mp-1173444",
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"structure_string": "Rb6 P22\n1.0\n1.685602 5.478754 0.000000\n-1.685602 5.478754 0.000000\n0.000000 3.616280 40.919228\nRb P\n6 22\ndirect\n0.447519 0.447519 0.144545 Rb\n0.097329 0.097329 0.307124 Rb\n0.654378 0.654378 0.449576 Rb\n0.345622 0.345622 0.550424 Rb\n0.902671 0.902671 0.692876 Rb\n0.552481 0.552481 0.855455 Rb\n0.862606 0.862606 0.971045 P\n0.498422 0.498422 0.027406 P\n0.137394 0.137394 0.028955 P\n0.144878 0.144878 0.083600 P\n0.090089 0.090089 0.208001 P\n0.769912 0.769912 0.089963 P\n0.724509 0.724509 0.203681 P\n0.798190 0.798190 0.253415 P\n0.431863 0.431863 0.251441 P\n0.375186 0.375186 0.364240 P\n0.395937 0.395937 0.417440 P\n0.989276 0.989276 0.385603 P\n0.010724 0.010724 0.614397 P\n0.604063 0.604063 0.582560 P\n0.624814 0.624814 0.635760 P\n0.568137 0.568137 0.748559 P\n0.201810 0.201810 0.746585 P\n0.275491 0.275491 0.796319 P\n0.230088 0.230088 0.910037 P\n0.909911 0.909911 0.791999 P\n0.855122 0.855122 0.916400 P\n0.501578 0.501578 0.972594 P\n",
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"volume": 755.7780347624781,
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"formula_full": "Rb6 P22",
"formula_reduced": "Rb3P11",
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"spacegroup": 12
},
{
"id": "mp-1190809",
"created_at": "2022-09-04T14:47:34.320572Z",
"structure_string": "Li16 Te2 N4\n1.0\n-3.609002 3.609002 5.129480\n3.609002 -3.609002 5.129480\n3.609002 3.609002 -5.129480\nLi Te N\n16 2 4\ndirect\n0.916507 0.485512 0.057951 Li\n0.427561 0.858556 0.942049 Li\n0.235512 0.166507 0.557951 Li\n0.608556 0.677561 0.442049 Li\n0.916507 0.858556 0.430996 Li\n0.427561 0.485512 0.569004 Li\n0.235512 0.677561 0.069004 Li\n0.608556 0.166507 0.930996 Li\n0.058515 0.403918 0.345403 Li\n0.058515 0.713113 0.654597 Li\n0.153918 0.308515 0.845403 Li\n0.463113 0.308515 0.154597 Li\n0.291294 0.791294 0.500000 Li\n0.541294 0.541294 0.000000 Li\n0.872784 0.372784 0.500000 Li\n0.122784 0.122784 0.000000 Li\n0.853237 0.853237 0.000000 Te\n0.603237 0.103237 0.500000 Te\n0.249909 0.480665 0.230756 N\n0.249909 0.019153 0.769244 N\n0.230665 0.499909 0.730756 N\n0.769153 0.499909 0.269244 N\n",
"nsites": 22,
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"elements": [
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"Te",
"N"
],
"chemical_system": "Li-N-Te",
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"volume": 267.24376256429514,
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"formula_full": "Li16 Te2 N4",
"formula_reduced": "Li8TeN2",
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},
{
"id": "mp-25988",
"created_at": "2022-09-04T14:42:49.906317Z",
"structure_string": "Mo4 P16 O48\n1.0\n8.353176 0.000000 0.000000\n0.000000 9.495909 0.000000\n0.000000 0.000000 13.142810\nMo P O\n4 16 48\ndirect\n0.854251 0.750000 0.500000 Mo\n0.145749 0.250000 0.500000 Mo\n0.645749 0.250000 0.000000 Mo\n0.354251 0.750000 0.000000 Mo\n0.462827 0.483145 0.849486 P\n0.537173 0.983145 0.849486 P\n0.180716 0.995780 0.853258 P\n0.962827 0.483145 0.650514 P\n0.180716 0.504220 0.146742 P\n0.819284 0.004220 0.146742 P\n0.462827 0.016855 0.150514 P\n0.537173 0.516855 0.150514 P\n0.037173 0.516855 0.349486 P\n0.962827 0.016855 0.349486 P\n0.819284 0.495780 0.853258 P\n0.680716 0.504220 0.353258 P\n0.319284 0.495780 0.646742 P\n0.680716 0.995780 0.646742 P\n0.037173 0.983145 0.650514 P\n0.319284 0.004220 0.353258 P\n0.806281 0.372042 0.927436 O\n0.193719 0.872042 0.927436 O\n0.528303 0.865814 0.927707 O\n0.471697 0.365814 0.927707 O\n0.193719 0.627958 0.072564 O\n0.806281 0.127958 0.072564 O\n0.471697 0.134186 0.072293 O\n0.528303 0.634186 0.072293 O\n0.090200 0.377175 0.121916 O\n0.909800 0.877175 0.121916 O\n0.365187 0.890177 0.116001 O\n0.634813 0.390177 0.116001 O\n0.364377 0.465555 0.182820 O\n0.635623 0.965555 0.182820 O\n0.117625 0.581243 0.251390 O\n0.882375 0.081243 0.251390 O\n0.382375 0.081243 0.248610 O\n0.090200 0.122825 0.878084 O\n0.135623 0.965555 0.317180 O\n0.864377 0.465555 0.317180 O\n0.134813 0.390177 0.383999 O\n0.865187 0.890177 0.383999 O\n0.409800 0.877175 0.378084 O\n0.590200 0.377175 0.378084 O\n0.028303 0.634186 0.427707 O\n0.971697 0.134186 0.427707 O\n0.306281 0.127958 0.427436 O\n0.693719 0.627958 0.427436 O\n0.306281 0.372042 0.572564 O\n0.693719 0.872042 0.572564 O\n0.028303 0.865814 0.572293 O\n0.971697 0.365814 0.572293 O\n0.409800 0.622825 0.621916 O\n0.590200 0.122825 0.621916 O\n0.134813 0.109823 0.616001 O\n0.865187 0.609823 0.616001 O\n0.135623 0.534445 0.682820 O\n0.864377 0.034445 0.682820 O\n0.382375 0.418757 0.751390 O\n0.617625 0.918757 0.751390 O\n0.117625 0.918757 0.748610 O\n0.882375 0.418757 0.748610 O\n0.364377 0.034445 0.817180 O\n0.635623 0.534445 0.817180 O\n0.365187 0.609823 0.883999 O\n0.634813 0.109823 0.883999 O\n0.909800 0.622825 0.878084 O\n0.617625 0.581243 0.248610 O\n",
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"volume": 1042.5008209304008,
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"formula_full": "Mo4 P16 O48",
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},
{
"id": "mp-761911",
"created_at": "2022-09-04T14:48:22.834006Z",
"structure_string": "Li4 Cu2 P8 O24\n1.0\n6.180069 4.933942 0.000000\n-6.180069 4.933942 0.000000\n0.000000 1.301269 8.163074\nLi Cu P O\n4 2 8 24\ndirect\n0.451269 0.821630 0.948656 Li\n0.821630 0.451269 0.448656 Li\n0.165247 0.522660 0.542702 Li\n0.522660 0.165247 0.042702 Li\n0.816650 0.105305 0.746524 Cu\n0.105305 0.816650 0.246524 Cu\n0.925924 0.758775 0.688476 P\n0.758775 0.925924 0.188476 P\n0.817856 0.444165 0.921681 P\n0.444165 0.817856 0.421681 P\n0.492702 0.147768 0.582469 P\n0.147768 0.492702 0.082469 P\n0.176697 0.029660 0.819544 P\n0.029660 0.176697 0.319544 P\n0.831806 0.898264 0.641535 O\n0.967278 0.645260 0.560712 O\n0.898264 0.831806 0.141535 O\n0.645260 0.967278 0.060712 O\n0.812245 0.640971 0.850086 O\n0.640971 0.812245 0.350086 O\n0.286536 0.001020 0.953991 O\n0.789930 0.336843 0.780508 O\n0.001020 0.286536 0.453991 O\n0.385926 0.694954 0.575888 O\n0.336843 0.789930 0.280508 O\n0.694954 0.385926 0.075888 O\n0.107460 0.842744 0.755094 O\n0.326679 0.576565 0.000356 O\n0.842744 0.107460 0.255094 O\n0.576565 0.326679 0.500356 O\n0.569837 0.056529 0.717935 O\n0.021773 0.464762 0.941193 O\n0.056529 0.569837 0.217935 O\n0.464762 0.021773 0.441193 O\n0.295194 0.145198 0.658590 O\n0.145198 0.295194 0.158590 O\n0.027806 0.116777 0.853446 O\n0.116777 0.027806 0.353446 O\n",
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{
"id": "mp-1080857",
"created_at": "2022-09-04T14:48:28.158688Z",
"structure_string": "Ce16 Se32\n1.0\n-14.733505 0.000000 0.000000\n-0.002585 -14.889393 0.000000\n7.221697 7.289101 13.756164\nCe Se\n16 32\ndirect\n0.704487 0.680589 0.312239 Ce\n0.892996 0.818460 0.686715 Ce\n0.795318 0.369206 0.687057 Ce\n0.607567 0.131291 0.313266 Ce\n0.295513 0.319411 0.687761 Ce\n0.107004 0.181540 0.313285 Ce\n0.204682 0.630794 0.312943 Ce\n0.392433 0.868709 0.686734 Ce\n0.319129 0.296332 0.187877 Ce\n0.630026 0.203657 0.812703 Ce\n0.181685 0.107672 0.813049 Ce\n0.868444 0.391126 0.186545 Ce\n0.680871 0.703668 0.812123 Ce\n0.369974 0.796343 0.187297 Ce\n0.818315 0.892328 0.186951 Ce\n0.131556 0.608874 0.813455 Ce\n0.736934 0.487504 0.249856 Se\n0.987034 0.012349 0.750087 Se\n0.763272 0.237048 0.749856 Se\n0.512789 0.261988 0.249557 Se\n0.263066 0.512496 0.750144 Se\n0.012966 0.987651 0.249913 Se\n0.236728 0.762952 0.250144 Se\n0.487211 0.738012 0.750443 Se\n0.831849 0.806017 0.303136 Se\n0.028809 0.693890 0.697268 Se\n0.669068 0.503280 0.697474 Se\n0.470838 0.995614 0.302112 Se\n0.168151 0.193983 0.696864 Se\n0.971191 0.306110 0.302732 Se\n0.330932 0.496720 0.302526 Se\n0.529162 0.004386 0.697888 Se\n0.193830 0.168747 0.196806 Se\n0.496268 0.330238 0.802415 Se\n0.305902 0.971682 0.802618 Se\n0.003832 0.527835 0.197340 Se\n0.806170 0.831253 0.803194 Se\n0.503732 0.669762 0.197585 Se\n0.694098 0.028318 0.197382 Se\n0.996168 0.472165 0.802660 Se\n0.741505 0.750024 0.500505 Se\n0.757766 0.249820 0.499616 Se\n0.258495 0.249976 0.499495 Se\n0.242234 0.750180 0.500384 Se\n0.249668 0.258447 0.999395 Se\n0.750106 0.241589 0.000370 Se\n0.750332 0.741553 0.000605 Se\n0.249894 0.758411 0.999630 Se\n",
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{
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"structure_string": "Si12 O24\n1.0\n4.918796 0.000000 0.000000\n0.000000 8.761914 0.000000\n0.000000 0.000000 10.586823\nSi O\n12 24\ndirect\n0.057809 0.286825 0.915757 Si\n0.942191 0.786825 0.584243 Si\n0.442191 0.786825 0.415757 Si\n0.250000 0.000000 0.782100 Si\n0.557809 0.213175 0.584243 Si\n0.057809 0.213175 0.415757 Si\n0.942191 0.713175 0.084243 Si\n0.750000 0.500000 0.717900 Si\n0.750000 0.000000 0.217900 Si\n0.557809 0.286825 0.084243 Si\n0.442191 0.713175 0.915757 Si\n0.250000 0.500000 0.282100 Si\n0.444998 0.890676 0.868778 O\n0.944998 0.890676 0.131222 O\n0.956970 0.395607 0.801289 O\n0.944998 0.609324 0.631222 O\n0.369798 0.179384 0.460217 O\n0.055002 0.390676 0.368778 O\n0.555002 0.109324 0.131222 O\n0.456970 0.395607 0.198711 O\n0.043030 0.604393 0.198711 O\n0.543030 0.604393 0.801289 O\n0.555002 0.390676 0.631222 O\n0.043030 0.895607 0.698711 O\n0.869798 0.320616 0.039783 O\n0.543030 0.895607 0.301289 O\n0.956970 0.104393 0.301289 O\n0.869798 0.179384 0.539783 O\n0.630202 0.820616 0.539783 O\n0.444998 0.609324 0.368778 O\n0.456970 0.104393 0.698711 O\n0.630202 0.679384 0.039783 O\n0.130202 0.679384 0.960217 O\n0.369798 0.320616 0.960217 O\n0.130202 0.820616 0.460217 O\n0.055002 0.109324 0.868778 O\n",
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"volume": 456.2716126408506,
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"formula_full": "Si12 O24",
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{
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{
"id": "mp-1022459",
"created_at": "2022-09-04T14:41:15.185683Z",
"structure_string": "Mg12 Zr2 Si2\n1.0\n4.823857 0.000000 0.000000\n0.000000 6.412731 0.000000\n0.000000 0.000000 10.847667\nMg Zr Si\n12 2 2\ndirect\n0.000000 0.251571 0.081933 Mg\n0.000000 0.748429 0.081933 Mg\n0.000000 0.500000 0.833154 Mg\n0.500000 0.254503 0.916590 Mg\n0.500000 0.745497 0.916590 Mg\n0.500000 0.500000 0.667506 Mg\n0.000000 0.751571 0.581933 Mg\n0.000000 0.248429 0.581933 Mg\n0.000000 0.000000 0.333154 Mg\n0.500000 0.754503 0.416590 Mg\n0.500000 0.245497 0.416590 Mg\n0.500000 0.000000 0.167506 Mg\n0.000000 0.500000 0.323387 Zr\n0.000000 0.000000 0.823387 Zr\n0.500000 0.500000 0.178906 Si\n0.500000 0.000000 0.678906 Si\n",
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{
"id": "mp-1211897",
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"structure_string": "K12 Dy4 Cl24\n1.0\n0.000000 -7.801798 0.000000\n-12.549737 0.000000 4.209105\n0.053621 0.000000 -12.750536\nK Dy Cl\n12 4 24\ndirect\n0.434554 0.685387 0.733389 K\n0.565446 0.314613 0.266611 K\n0.934554 0.314613 0.766611 K\n0.065446 0.685387 0.233389 K\n0.966893 0.902172 0.641753 K\n0.033107 0.097828 0.358247 K\n0.466893 0.097828 0.858247 K\n0.533107 0.902172 0.141753 K\n0.934780 0.679403 0.887692 K\n0.065220 0.320597 0.112308 K\n0.434780 0.320597 0.612308 K\n0.565220 0.679403 0.387692 K\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.498524 0.880811 0.629846 Cl\n0.501476 0.119189 0.370154 Cl\n0.998524 0.119189 0.870154 Cl\n0.001476 0.880811 0.129846 Cl\n0.290821 0.654376 0.995066 Cl\n0.709179 0.345624 0.004934 Cl\n0.790821 0.345624 0.504934 Cl\n0.209179 0.654376 0.495066 Cl\n0.784747 0.652421 0.606621 Cl\n0.215253 0.347579 0.393379 Cl\n0.284747 0.347579 0.893379 Cl\n0.715253 0.652421 0.106621 Cl\n0.642224 0.500580 0.809291 Cl\n0.357776 0.499420 0.190709 Cl\n0.142224 0.499420 0.690709 Cl\n0.857776 0.500580 0.309291 Cl\n0.179491 0.861135 0.845706 Cl\n0.820509 0.138865 0.154294 Cl\n0.679491 0.138865 0.654294 Cl\n0.320509 0.861135 0.345706 Cl\n0.716137 0.898659 0.905833 Cl\n0.283863 0.101341 0.094167 Cl\n0.216137 0.101341 0.594167 Cl\n0.783863 0.898659 0.405833 Cl\n",
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{
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"structure_string": "Mn1 H2 Cl2\n1.0\n3.615002 3.357607 0.000000\n-3.615002 3.357607 0.000000\n0.000000 0.459918 3.332952\nMn H Cl\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.770065 0.229935 0.000000 H\n0.229935 0.770065 0.000000 H\n0.760323 0.760323 0.566643 Cl\n0.239677 0.239677 0.433357 Cl\n",
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{
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"structure_string": "Na6 Mn4 P4 C4 O28\n1.0\n8.373846 0.000000 0.000000\n-1.937199 8.201832 0.000000\n-0.167629 -0.209765 9.007127\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.619090 0.629104 0.757854 Na\n0.886724 0.349172 0.755349 Na\n0.373712 0.874594 0.765716 Na\n0.894265 0.857212 0.244769 Na\n0.615758 0.124750 0.242030 Na\n0.383196 0.382559 0.234602 Na\n0.511318 0.270809 0.655622 Mn\n0.017117 0.769556 0.649051 Mn\n0.471557 0.735649 0.342377 Mn\n0.983215 0.236736 0.353469 Mn\n0.732426 0.977885 0.574094 P\n0.232345 0.491066 0.571157 P\n0.769768 0.510834 0.427706 P\n0.263320 0.026275 0.425961 P\n0.991472 0.736510 0.918259 C\n0.491241 0.242240 0.923280 C\n0.512441 0.758378 0.075724 C\n0.007829 0.257947 0.083609 C\n0.527762 0.774560 0.939221 O\n0.022051 0.271027 0.948717 O\n0.601554 0.355271 0.856198 O\n0.101839 0.848801 0.853794 O\n0.897237 0.639504 0.815621 O\n0.394458 0.145534 0.827128 O\n0.856712 0.907589 0.667274 O\n0.358912 0.438696 0.671744 O\n0.676955 0.105469 0.670663 O\n0.171823 0.622301 0.665602 O\n0.581411 0.835042 0.531918 O\n0.697083 0.442086 0.577354 O\n0.193982 0.941446 0.569869 O\n0.082165 0.344548 0.534526 O\n0.915312 0.660330 0.466669 O\n0.808084 0.051921 0.426383 O\n0.305263 0.556975 0.422649 O\n0.405282 0.178081 0.468497 O\n0.828741 0.373792 0.339460 O\n0.645830 0.564502 0.326211 O\n0.332386 0.917655 0.320672 O\n0.127138 0.087112 0.337453 O\n0.608419 0.853776 0.176302 O\n0.103734 0.353108 0.183917 O\n0.895175 0.147419 0.150434 O\n0.399564 0.647474 0.137896 O\n0.973630 0.721279 0.052749 O\n0.482804 0.231326 0.060450 O\n",
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}