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{
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{
"id": "mp-755031",
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"structure_string": "K2 Pr2 P2 C2 O14\n1.0\n7.234146 0.000000 0.000000\n0.000000 5.772134 0.000000\n0.000000 0.110991 10.494787\nK Pr P C O\n2 2 2 2 14\ndirect\n0.447800 0.241456 0.767463 K\n0.947800 0.758544 0.232537 K\n0.780966 0.780658 0.630415 Pr\n0.280966 0.219342 0.369585 Pr\n0.271924 0.715427 0.571038 P\n0.771924 0.284573 0.428962 P\n0.726720 0.725883 0.914195 C\n0.226720 0.274117 0.085805 C\n0.228418 0.305495 0.965572 O\n0.725764 0.932131 0.866649 O\n0.727945 0.552889 0.837414 O\n0.099398 0.772625 0.651139 O\n0.449277 0.791789 0.641520 O\n0.757426 0.161020 0.562374 O\n0.282211 0.449315 0.546785 O\n0.782211 0.550685 0.453215 O\n0.257426 0.838980 0.437626 O\n0.949277 0.208211 0.358480 O\n0.599398 0.227375 0.348861 O\n0.227945 0.447111 0.162586 O\n0.225764 0.067869 0.133351 O\n0.728418 0.694505 0.034428 O\n",
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{
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.177714 0.000000 0.000000\n-1.419264 8.079821 0.000000\n-2.938001 -3.894695 9.015813\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.257417 0.261211 0.767074 Na\n0.507242 0.010238 0.767346 Na\n0.732794 0.754622 0.238973 Na\n0.223993 0.248213 0.236900 Na\n0.812069 0.062585 0.657219 Mn\n0.311937 0.562324 0.657127 Mn\n0.696833 0.434954 0.347261 Mn\n0.191537 0.927831 0.336910 Mn\n0.051754 0.800861 0.569645 P\n0.543989 0.292837 0.563819 P\n0.455378 0.699874 0.432494 P\n0.955179 0.200285 0.432710 P\n0.964923 0.229644 0.922968 C\n0.469820 0.722860 0.923137 C\n0.532358 0.280628 0.083166 C\n0.026840 0.773397 0.070916 C\n0.940744 0.696570 0.937888 O\n0.442582 0.202156 0.947949 O\n0.327696 0.580809 0.860134 O\n0.822116 0.088292 0.860512 O\n0.005557 0.271108 0.818785 O\n0.512583 0.763400 0.819432 O\n0.171760 0.728314 0.669190 O\n0.981448 0.926631 0.675355 O\n0.650840 0.210015 0.663285 O\n0.463189 0.405608 0.669251 O\n0.599042 0.851128 0.573456 O\n0.665242 0.414388 0.519934 O\n0.173612 0.922603 0.523271 O\n0.103405 0.346965 0.573437 O\n0.901084 0.654598 0.430377 O\n0.338642 0.572864 0.477237 O\n0.836099 0.075404 0.477459 O\n0.395229 0.148235 0.422483 O\n0.338704 0.770740 0.329768 O\n0.538890 0.586798 0.330491 O\n0.843021 0.278769 0.333932 O\n0.030906 0.081720 0.326742 O\n0.491755 0.236274 0.185342 O\n0.986806 0.729417 0.175097 O\n0.677424 0.417073 0.143136 O\n0.172922 0.913103 0.135031 O\n0.050947 0.310025 0.056456 O\n0.551593 0.806726 0.056908 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"updated_at": "2021-11-28T01:37:21.453000Z",
"spacegroup": 1
},
{
"id": "mp-756953",
"created_at": "2022-09-04T14:45:15.386280Z",
"structure_string": "K2 Sb2 P2 C2 O14\n1.0\n6.654382 0.000000 0.000000\n0.000000 5.795271 0.000000\n0.000000 0.235799 10.137556\nK Sb P C O\n2 2 2 2 14\ndirect\n0.435098 0.235962 0.789244 K\n0.935098 0.764038 0.210756 K\n0.774367 0.784549 0.639132 Sb\n0.274367 0.215451 0.360868 Sb\n0.269013 0.725328 0.558378 P\n0.769013 0.274672 0.441622 P\n0.734171 0.717533 0.888358 C\n0.234171 0.282467 0.111642 C\n0.208457 0.308187 0.992138 O\n0.751518 0.925227 0.825543 O\n0.746513 0.544340 0.802090 O\n0.091289 0.798406 0.649925 O\n0.454030 0.804643 0.640617 O\n0.759826 0.147696 0.578126 O\n0.273567 0.461877 0.539951 O\n0.773567 0.538123 0.460049 O\n0.259826 0.852304 0.421874 O\n0.954030 0.195357 0.359383 O\n0.591289 0.201594 0.350075 O\n0.246513 0.455660 0.197910 O\n0.251518 0.074773 0.174457 O\n0.708457 0.691813 0.007862 O\n",
"nsites": 22,
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"elements": [
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"density": 2.6830545522069635,
"density_atomic": 0.056274019523639286,
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"formula_full": "K2 Sb2 P2 C2 O14",
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"spacegroup": 4
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{
"id": "mp-767952",
"created_at": "2022-09-04T14:46:08.533932Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.256446 0.000000 0.000000\n0.000000 5.230759 0.000000\n0.000000 0.632804 18.139870\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.530151 0.757080 0.630643 Na\n0.469849 0.242920 0.369357 Na\n0.969849 0.757080 0.130643 Na\n0.030151 0.242920 0.869357 Na\n0.246871 0.216941 0.578770 Mn\n0.753129 0.783059 0.421230 Mn\n0.253129 0.216941 0.078770 Mn\n0.746871 0.783059 0.921230 Mn\n0.748569 0.281242 0.533271 P\n0.251431 0.718758 0.466729 P\n0.751431 0.281242 0.033271 P\n0.248569 0.718758 0.966729 P\n0.256520 0.270519 0.710984 C\n0.743480 0.729481 0.289016 C\n0.243480 0.270519 0.210984 C\n0.756520 0.729481 0.789016 C\n0.761996 0.699411 0.722232 O\n0.253430 0.047743 0.678797 O\n0.252389 0.459971 0.660142 O\n0.943537 0.215460 0.581824 O\n0.558644 0.216134 0.586457 O\n0.739362 0.571877 0.511958 O\n0.263100 0.872595 0.537274 O\n0.736900 0.127405 0.462726 O\n0.260638 0.428123 0.488042 O\n0.441356 0.783866 0.413543 O\n0.056463 0.784540 0.418176 O\n0.747611 0.540029 0.339858 O\n0.746570 0.952257 0.321203 O\n0.238004 0.300589 0.277768 O\n0.738004 0.699411 0.222232 O\n0.246570 0.047743 0.178797 O\n0.247611 0.459971 0.160142 O\n0.941356 0.216134 0.086457 O\n0.556463 0.215460 0.081824 O\n0.760638 0.571877 0.011958 O\n0.236900 0.872595 0.037274 O\n0.763100 0.127405 0.962726 O\n0.239362 0.428123 0.988042 O\n0.443537 0.784540 0.918176 O\n0.058644 0.783866 0.913543 O\n0.752389 0.540029 0.839858 O\n0.753430 0.952257 0.821203 O\n0.261996 0.300589 0.777768 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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"spacegroup": 14
},
{
"id": "mp-1101670",
"created_at": "2022-09-04T14:43:42.112399Z",
"structure_string": "Na2 Co2 P2 C2 O14\n1.0\n6.353488 0.000000 0.000000\n0.000000 5.177936 0.000000\n0.000000 0.385182 8.978676\nNa Co P C O\n2 2 2 2 14\ndirect\n0.460475 0.242346 0.251384 Na\n0.960475 0.757654 0.748616 Na\n0.769278 0.786180 0.342084 Co\n0.269278 0.213820 0.657916 Co\n0.258262 0.719310 0.430038 P\n0.758262 0.280690 0.569962 P\n0.741598 0.713363 0.075387 C\n0.241598 0.286637 0.924613 C\n0.235045 0.327477 0.059867 O\n0.749723 0.942451 0.129763 O\n0.742363 0.528920 0.179418 O\n0.061560 0.779445 0.330523 O\n0.449372 0.792987 0.331597 O\n0.745518 0.130774 0.426139 O\n0.264821 0.422999 0.469773 O\n0.764821 0.577001 0.530227 O\n0.245518 0.869226 0.573861 O\n0.949372 0.207013 0.668403 O\n0.561560 0.220555 0.669477 O\n0.242363 0.471080 0.820582 O\n0.249723 0.057549 0.870237 O\n0.735045 0.672523 0.940133 O\n",
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{
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.248153 0.000000 0.000000\n0.000000 5.246204 0.000000\n0.000000 0.793345 18.346003\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.972047 0.758662 0.880657 Na\n0.472047 0.241338 0.619343 Na\n0.527953 0.758662 0.380657 Na\n0.027953 0.241338 0.119343 Na\n0.266693 0.216982 0.827672 Mn\n0.766693 0.783018 0.672328 Mn\n0.233307 0.216982 0.327672 Mn\n0.733307 0.783018 0.172328 Mn\n0.760196 0.277539 0.782576 P\n0.260196 0.722461 0.717424 P\n0.739804 0.277539 0.282576 P\n0.239804 0.722461 0.217424 P\n0.254577 0.274009 0.957869 C\n0.754577 0.725991 0.542131 C\n0.245423 0.274009 0.457869 C\n0.745423 0.725991 0.042131 C\n0.751966 0.693799 0.976409 O\n0.257906 0.050886 0.927157 O\n0.257611 0.461456 0.906603 O\n0.954064 0.208155 0.832699 O\n0.569660 0.214313 0.833812 O\n0.767642 0.567767 0.761652 O\n0.252905 0.874289 0.786959 O\n0.752905 0.125711 0.713041 O\n0.267642 0.432233 0.738348 O\n0.454064 0.791845 0.667301 O\n0.069660 0.785687 0.666188 O\n0.757611 0.538544 0.593397 O\n0.757906 0.949114 0.572843 O\n0.251966 0.306201 0.523591 O\n0.748034 0.693799 0.476409 O\n0.242094 0.050886 0.427157 O\n0.242389 0.461456 0.406603 O\n0.930340 0.214313 0.333812 O\n0.545936 0.208155 0.332699 O\n0.732358 0.567767 0.261652 O\n0.247095 0.874289 0.286959 O\n0.747095 0.125711 0.213041 O\n0.232358 0.432233 0.238348 O\n0.430340 0.785687 0.166188 O\n0.045936 0.791845 0.167301 O\n0.742389 0.538544 0.093397 O\n0.742094 0.949114 0.072843 O\n0.248034 0.306201 0.023591 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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{
"id": "mp-768250",
"created_at": "2022-09-04T14:46:17.549286Z",
"structure_string": "Li2 Pr2 P2 C2 O14\n1.0\n7.088947 0.000000 0.000000\n0.000000 4.942483 0.000000\n0.000000 0.797774 9.456521\nLi Pr P C O\n2 2 2 2 14\ndirect\n0.554748 0.749767 0.774715 Li\n0.054748 0.250233 0.225285 Li\n0.222619 0.237564 0.627921 Pr\n0.722619 0.762436 0.372079 Pr\n0.721179 0.272374 0.603584 P\n0.221179 0.727626 0.396416 P\n0.282730 0.279152 0.940335 C\n0.782730 0.720848 0.059665 C\n0.729792 0.687043 0.935734 O\n0.295819 0.039914 0.897199 O\n0.319628 0.477476 0.846426 O\n0.906741 0.185977 0.677452 O\n0.550718 0.105549 0.662784 O\n0.236781 0.758507 0.560689 O\n0.681396 0.580981 0.611605 O\n0.181396 0.419019 0.388395 O\n0.736781 0.241493 0.439311 O\n0.050718 0.894451 0.337216 O\n0.406741 0.814023 0.322548 O\n0.819628 0.522524 0.153574 O\n0.795819 0.960086 0.102801 O\n0.229792 0.312957 0.064266 O\n",
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{
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"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n6.030129 0.000000 0.000000\n0.000000 4.968681 0.000000\n0.000000 0.694334 8.409003\nLi Si P C O\n2 2 2 2 14\ndirect\n0.478234 0.768098 0.805464 Li\n0.978234 0.231902 0.194536 Li\n0.248102 0.211335 0.666079 Si\n0.748102 0.788665 0.333921 Si\n0.754262 0.263950 0.567139 P\n0.254262 0.736050 0.432861 P\n0.251544 0.273373 0.931057 C\n0.751544 0.726627 0.068943 C\n0.734665 0.686731 0.927223 O\n0.253141 0.036324 0.866867 O\n0.263510 0.465163 0.808973 O\n0.956779 0.202903 0.672790 O\n0.551918 0.192142 0.672822 O\n0.258380 0.900404 0.580768 O\n0.751613 0.568902 0.507114 O\n0.251613 0.431098 0.492886 O\n0.758380 0.099596 0.419232 O\n0.051918 0.807858 0.327178 O\n0.456779 0.797097 0.327210 O\n0.763510 0.534837 0.191027 O\n0.753141 0.963676 0.133133 O\n0.234665 0.313269 0.072777 O\n",
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