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{
"id": "mp-769579",
"created_at": "2022-09-04T14:40:16.446552Z",
"structure_string": "K2 Fe2 P2 C2 O14\n1.0\n10.030647 0.000000 -0.107191\n0.000000 6.439156 0.000000\n0.178066 0.000000 5.442974\nK Fe P C O\n2 2 2 2 14\ndirect\n0.241529 0.420396 0.247079 K\n0.758471 0.920396 0.752921 K\n0.362431 0.773230 0.780292 Fe\n0.637569 0.273230 0.219708 Fe\n0.439760 0.266579 0.726984 P\n0.560240 0.766579 0.273016 P\n0.110110 0.743891 0.720381 C\n0.889890 0.243891 0.279619 C\n0.012137 0.219209 0.315903 O\n0.160506 0.752054 0.937066 O\n0.197378 0.760381 0.541387 O\n0.349324 0.076537 0.778112 O\n0.350590 0.459077 0.774923 O\n0.437085 0.761023 0.106996 O\n0.487347 0.265474 0.452851 O\n0.512653 0.765474 0.547149 O\n0.562915 0.261023 0.893004 O\n0.649410 0.959077 0.225077 O\n0.650676 0.576537 0.221888 O\n0.802622 0.260381 0.458613 O\n0.839494 0.252054 0.062934 O\n0.987863 0.719209 0.684097 O\n",
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{
"id": "mp-756529",
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"structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n5.185178 0.000000 0.000000\n-0.100726 6.228844 0.000000\n-0.558575 -0.140895 8.586495\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.772612 0.958024 0.211331 Li\n0.227388 0.041976 0.788669 Li\n0.209032 0.744648 0.337752 Mn\n0.790968 0.255352 0.662248 Mn\n0.277193 0.244669 0.431218 P\n0.722807 0.755331 0.568782 P\n0.264161 0.771263 0.062274 C\n0.735839 0.228737 0.937726 C\n0.705964 0.196057 0.074602 O\n0.038861 0.747878 0.124651 O\n0.455465 0.756433 0.172265 O\n0.193316 0.054533 0.319261 O\n0.202743 0.441321 0.334293 O\n0.572786 0.235061 0.472259 O\n0.861347 0.765862 0.413518 O\n0.138653 0.234138 0.586482 O\n0.427214 0.764939 0.527741 O\n0.797257 0.558679 0.665707 O\n0.806684 0.945467 0.680739 O\n0.544535 0.243567 0.827735 O\n0.961139 0.252122 0.875349 O\n0.294036 0.803943 0.925398 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.596989020021681,
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"volume": 277.32373795426867,
"volume_molar": 7.591284482045275,
"formula_full": "Li2 Mn2 P2 C2 O14",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -168.88683416,
"energy_per_atom": -7.67667428,
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"updated_at": "2021-11-28T01:34:58.139000Z",
"spacegroup": 2
},
{
"id": "mp-770902",
"created_at": "2022-09-04T14:45:12.840071Z",
"structure_string": "Li2 Fe2 As2 C2 O14\n1.0\n8.827284 0.000000 0.168562\n0.000000 6.644033 0.000000\n0.313806 0.000000 5.255639\nLi Fe As C O\n2 2 2 2 14\ndirect\n0.217265 0.512400 0.211577 Li\n0.782735 0.012400 0.788423 Li\n0.346214 0.754557 0.797920 Fe\n0.653786 0.254557 0.202080 Fe\n0.422277 0.245912 0.726601 As\n0.577723 0.745912 0.273399 As\n0.064046 0.748547 0.726765 C\n0.935954 0.248547 0.273235 C\n0.073452 0.284781 0.303400 O\n0.116394 0.744858 0.951370 O\n0.165379 0.719814 0.538971 O\n0.309932 0.042258 0.794130 O\n0.318767 0.450441 0.831918 O\n0.403213 0.730702 0.148139 O\n0.462907 0.263579 0.399186 O\n0.537093 0.763579 0.600814 O\n0.596787 0.230702 0.851861 O\n0.681233 0.950441 0.168082 O\n0.690068 0.542258 0.205870 O\n0.834621 0.219814 0.461029 O\n0.883606 0.244858 0.048630 O\n0.926548 0.784781 0.696600 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.823041469841862,
"density_atomic": 0.07145518112871295,
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"formula_full": "Li2 Fe2 As2 C2 O14",
"formula_reduced": "LiFeAsCO7",
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"updated_at": "2021-11-28T01:36:56.556000Z",
"spacegroup": 4
},
{
"id": "mp-767535",
"created_at": "2022-09-04T14:44:21.951073Z",
"structure_string": "Na2 Hf2 P2 C2 O14\n1.0\n6.655543 0.000000 0.000000\n0.000000 5.555237 0.000000\n0.000000 0.380584 9.300247\nNa Hf P C O\n2 2 2 2 14\ndirect\n0.506383 0.759194 0.796399 Na\n0.006383 0.240806 0.203601 Na\n0.233312 0.209097 0.657432 Hf\n0.733312 0.790903 0.342568 Hf\n0.740037 0.275578 0.561235 P\n0.240037 0.724422 0.438765 P\n0.265737 0.276660 0.926307 C\n0.765737 0.723340 0.073693 C\n0.753207 0.687151 0.944321 O\n0.263364 0.059481 0.867932 O\n0.275975 0.452085 0.822151 O\n0.926296 0.220698 0.655741 O\n0.550080 0.199709 0.644871 O\n0.256048 0.867913 0.578626 O\n0.731710 0.548548 0.517671 O\n0.231710 0.451452 0.482329 O\n0.756048 0.132087 0.421374 O\n0.050080 0.800291 0.355129 O\n0.426296 0.779302 0.344259 O\n0.775975 0.547915 0.177849 O\n0.763364 0.940519 0.132068 O\n0.253207 0.312849 0.055679 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.4427807478539645,
"density_atomic": 0.06397968721015213,
"volume": 343.8591365371523,
"volume_molar": 9.4125823719945,
"formula_full": "Na2 Hf2 P2 C2 O14",
"formula_reduced": "NaHfPCO7",
"formula_anonymous": "ABCDE7",
"energy": -182.44824723,
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"updated_at": "2021-11-28T01:36:42.289000Z",
"spacegroup": 4
},
{
"id": "mp-769469",
"created_at": "2022-09-04T14:46:06.422672Z",
"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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{
"id": "mp-773432",
"created_at": "2022-09-04T14:45:42.433668Z",
"structure_string": "K2 Mn2 P2 C2 O14\n1.0\n6.211377 0.000000 0.000000\n0.000000 5.403057 0.000000\n0.000000 0.225941 10.006577\nK Mn P C O\n2 2 2 2 14\ndirect\n0.592241 0.755100 0.765017 K\n0.092241 0.244900 0.234983 K\n0.228837 0.226460 0.645824 Mn\n0.728837 0.773540 0.354176 Mn\n0.733635 0.274499 0.557339 P\n0.233635 0.725501 0.442661 P\n0.253973 0.280508 0.887582 C\n0.753973 0.719492 0.112418 C\n0.779886 0.687857 0.991389 O\n0.243651 0.064545 0.829659 O\n0.237210 0.462445 0.797025 O\n0.923319 0.220505 0.655599 O\n0.539339 0.224318 0.652860 O\n0.237564 0.892834 0.563841 O\n0.732497 0.552057 0.513619 O\n0.232497 0.447943 0.486381 O\n0.737564 0.107166 0.436159 O\n0.039339 0.775682 0.347140 O\n0.423319 0.779495 0.344401 O\n0.737210 0.537555 0.202975 O\n0.743651 0.935455 0.170341 O\n0.279886 0.312143 0.008611 O\n",
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{
"id": "mp-753805",
"created_at": "2022-09-04T14:42:42.186428Z",
"structure_string": "Li4 V4 P4 C4 O28\n1.0\n8.368864 0.101259 0.001791\n0.471114 5.192854 6.398180\n-0.468350 -5.193741 6.398727\nLi V P C O\n4 4 4 4 28\ndirect\n0.099871 0.530141 0.719879 Li\n0.099890 0.030089 0.219843 Li\n0.900118 0.469926 0.280058 Li\n0.900151 0.969834 0.780136 Li\n0.322875 0.269419 0.480672 V\n0.677087 0.730685 0.519396 V\n0.323090 0.769401 0.980735 V\n0.677031 0.230583 0.019324 V\n0.423079 0.498751 0.751380 P\n0.423103 0.998773 0.251416 P\n0.576916 0.501202 0.248678 P\n0.576907 0.001249 0.748606 P\n0.051112 0.700747 0.049307 C\n0.051045 0.200670 0.549306 C\n0.948904 0.299255 0.950648 C\n0.948924 0.799285 0.450654 C\n0.077045 0.824994 0.925289 O\n0.076903 0.324943 0.425322 O\n0.923046 0.175038 0.074691 O\n0.923041 0.675046 0.574682 O\n0.081373 0.342306 0.907635 O\n0.081383 0.842313 0.407661 O\n0.918614 0.657806 0.092214 O\n0.918584 0.157649 0.592314 O\n0.190387 0.626864 0.123078 O\n0.190351 0.126819 0.623064 O\n0.809607 0.373141 0.876923 O\n0.809614 0.873147 0.376896 O\n0.438201 0.413552 0.336451 O\n0.438228 0.913617 0.836443 O\n0.561799 0.586408 0.663556 O\n0.561783 0.086371 0.163560 O\n0.496258 0.357891 0.892651 O\n0.496206 0.857953 0.392765 O\n0.503744 0.642041 0.107387 O\n0.503714 0.142075 0.607337 O\n0.309607 0.433670 0.627449 O\n0.309701 0.933699 0.127436 O\n0.309296 0.622812 0.816070 O\n0.309257 0.122813 0.316067 O\n0.690707 0.377178 0.183954 O\n0.690727 0.877186 0.683938 O\n0.690351 0.566349 0.372583 O\n0.690369 0.066307 0.872545 O\n",
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"formula_full": "Li4 V4 P4 C4 O28",
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},
{
"id": "mp-677151",
"created_at": "2022-09-04T14:42:45.980588Z",
"structure_string": "Yb4 Ti4 Cd4 Sb4 O28\n1.0\n7.301351 0.000000 0.000000\n0.000000 7.301351 0.000000\n0.000000 0.000000 10.336406\nYb Ti Cd Sb O\n4 4 4 4 28\ndirect\n0.000000 0.745486 0.000000 Yb\n0.745486 0.000000 0.750000 Yb\n0.000000 0.254514 0.500000 Yb\n0.254514 0.000000 0.250000 Yb\n0.765475 0.000000 0.250000 Ti\n0.000000 0.765475 0.500000 Ti\n0.000000 0.234525 0.000000 Ti\n0.234525 0.000000 0.750000 Ti\n0.500000 0.249510 0.500000 Cd\n0.500000 0.750490 0.000000 Cd\n0.750490 0.500000 0.750000 Cd\n0.249510 0.500000 0.250000 Cd\n0.246486 0.500000 0.750000 Sb\n0.500000 0.753514 0.500000 Sb\n0.500000 0.246486 0.000000 Sb\n0.753514 0.500000 0.250000 Sb\n0.255872 0.744128 0.125000 O\n0.551328 0.954240 0.371450 O\n0.754957 0.755445 0.571577 O\n0.744128 0.255872 0.625000 O\n0.755445 0.754957 0.178423 O\n0.949581 0.949581 0.375000 O\n0.050419 0.050419 0.875000 O\n0.050419 0.949581 0.625000 O\n0.045760 0.448672 0.878550 O\n0.245043 0.244555 0.071577 O\n0.245043 0.755445 0.428423 O\n0.244555 0.754957 0.821577 O\n0.244555 0.245043 0.678423 O\n0.448672 0.045760 0.871450 O\n0.448672 0.954240 0.628550 O\n0.452129 0.452129 0.875000 O\n0.547871 0.547871 0.375000 O\n0.551328 0.045760 0.128550 O\n0.547871 0.452129 0.125000 O\n0.755445 0.245043 0.321577 O\n0.754957 0.244555 0.928423 O\n0.949581 0.050419 0.125000 O\n0.954240 0.551328 0.378550 O\n0.954240 0.448672 0.121450 O\n0.045760 0.551328 0.621450 O\n0.255872 0.255872 0.375000 O\n0.452129 0.547871 0.625000 O\n0.744128 0.744128 0.875000 O\n",
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"formula_full": "Yb4 Ti4 Cd4 Sb4 O28",
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{
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{
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{
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{
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