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{
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{
"id": "mp-769517",
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.275990 5.246699 0.000000\n-6.275990 5.246699 0.000000\n0.000000 4.921102 9.050631\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.761050 0.471072 0.756504 Na\n0.471072 0.761050 0.756504 Na\n0.508211 0.758485 0.233865 Na\n0.758485 0.508211 0.233865 Na\n0.943959 0.943959 0.654609 Mn\n0.428069 0.428069 0.660903 Mn\n0.562339 0.062768 0.343193 Mn\n0.062768 0.562339 0.343193 Mn\n0.200025 0.702296 0.568291 P\n0.702296 0.200025 0.568291 P\n0.301353 0.301353 0.428044 P\n0.795947 0.795947 0.436065 P\n0.780458 0.780458 0.918594 C\n0.275512 0.275512 0.927903 C\n0.729474 0.216491 0.077966 C\n0.216491 0.729474 0.077966 C\n0.299645 0.812736 0.944484 O\n0.812736 0.299645 0.944484 O\n0.420768 0.420768 0.859697 O\n0.921012 0.921012 0.857899 O\n0.736837 0.736837 0.816397 O\n0.229745 0.229745 0.828693 O\n0.280862 0.589574 0.668899 O\n0.082613 0.776989 0.670751 O\n0.776989 0.082613 0.670751 O\n0.589574 0.280862 0.668899 O\n0.153076 0.153076 0.566200 O\n0.579487 0.075871 0.524926 O\n0.075871 0.579487 0.524926 O\n0.649093 0.649093 0.580450 O\n0.348431 0.849159 0.426757 O\n0.424915 0.424915 0.473132 O\n0.918421 0.918421 0.478535 O\n0.849159 0.348431 0.426757 O\n0.232478 0.427360 0.325124 O\n0.427360 0.232478 0.325124 O\n0.709686 0.901595 0.335980 O\n0.901595 0.709686 0.335980 O\n0.770770 0.258797 0.180950 O\n0.258797 0.770770 0.180950 O\n0.585333 0.075064 0.141047 O\n0.075064 0.585333 0.141047 O\n0.694885 0.694885 0.053848 O\n0.197285 0.197285 0.061557 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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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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],
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"density": 2.6059558600297783,
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"volume": 593.644682201445,
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"energy": -334.68586431,
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"spacegroup": 14
},
{
"id": "mp-1224479",
"created_at": "2022-09-04T14:45:30.986243Z",
"structure_string": "Gd2 Y2 Sc2 Sb2 O14\n1.0\n-3.692859 3.731845 5.220400\n3.692859 -3.731845 5.220400\n3.692859 3.731845 -5.220400\nGd Y Sc Sb O\n2 2 2 2 14\ndirect\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.881726 0.631726 0.250000 O\n0.118274 0.368274 0.750000 O\n0.823659 0.073659 0.750000 O\n0.402277 0.652277 0.750000 O\n0.844326 0.674213 0.770471 O\n0.403742 0.073855 0.729529 O\n0.844326 0.073855 0.170112 O\n0.403742 0.674213 0.329888 O\n0.176341 0.926341 0.250000 O\n0.597723 0.347723 0.250000 O\n0.155674 0.325787 0.229529 O\n0.596258 0.926145 0.270471 O\n0.155674 0.926145 0.829888 O\n0.596258 0.325787 0.670112 O\n",
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"elements": [
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],
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"density": 6.057295082277113,
"density_atomic": 0.07644913667807876,
"volume": 287.77303388840414,
"volume_molar": 7.877316895491909,
"formula_full": "Gd2 Y2 Sc2 Sb2 O14",
"formula_reduced": "GdYScSbO7",
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"energy": -205.59200056,
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"updated_at": "2021-11-28T01:37:02.384000Z",
"spacegroup": 74
},
{
"id": "mp-767538",
"created_at": "2022-09-04T14:46:20.154349Z",
"structure_string": "Na2 Ce2 P2 C2 O14\n1.0\n7.043758 0.000000 0.000000\n0.000000 5.461328 0.000000\n0.000000 0.328153 9.623581\nNa Ce P C O\n2 2 2 2 14\ndirect\n0.520603 0.759995 0.791281 Na\n0.020603 0.240005 0.208719 Na\n0.231237 0.218225 0.653774 Ce\n0.731237 0.781775 0.346226 Ce\n0.736882 0.279814 0.574709 P\n0.236882 0.720186 0.425291 P\n0.267266 0.276797 0.932959 C\n0.767266 0.723203 0.067041 C\n0.745088 0.691116 0.942128 O\n0.268160 0.058595 0.874683 O\n0.285701 0.459474 0.837250 O\n0.914811 0.218335 0.662931 O\n0.558684 0.175855 0.649348 O\n0.256825 0.831969 0.572005 O\n0.716894 0.563102 0.551496 O\n0.216894 0.436898 0.448504 O\n0.756825 0.168031 0.427995 O\n0.058684 0.824145 0.350652 O\n0.414811 0.781665 0.337069 O\n0.785701 0.540526 0.162750 O\n0.768160 0.941405 0.125317 O\n0.245088 0.308884 0.057872 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Na2 Ce2 P2 C2 O14",
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"spacegroup": 4
},
{
"id": "mp-768699",
"created_at": "2022-09-04T14:46:20.741880Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.236869 0.000000 0.000000\n-0.141162 8.344746 0.000000\n-0.050889 -0.755605 10.197072\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.967242 0.258771 0.876095 Li\n0.528817 0.260009 0.375744 Li\n0.471630 0.742190 0.622592 Li\n0.471870 0.739635 0.122932 Li\n0.249972 0.329382 0.603269 Mn\n0.251786 0.329603 0.103368 Mn\n0.753067 0.670242 0.896902 Mn\n0.755733 0.670953 0.397333 Mn\n0.749857 0.426300 0.637993 P\n0.746073 0.425985 0.138330 P\n0.247606 0.574595 0.861885 P\n0.257259 0.574104 0.362335 P\n0.250310 0.049229 0.645125 C\n0.255276 0.049500 0.144874 C\n0.745974 0.949955 0.854710 C\n0.741690 0.950228 0.355121 C\n0.253062 0.104013 0.527485 O\n0.758658 0.091733 0.830143 O\n0.234956 0.104228 0.027937 O\n0.230822 0.171164 0.735768 O\n0.726834 0.091848 0.331126 O\n0.260289 0.171712 0.236330 O\n0.945872 0.327423 0.595311 O\n0.559064 0.312000 0.594457 O\n0.941736 0.324793 0.095549 O\n0.555335 0.313023 0.095709 O\n0.226265 0.414945 0.928319 O\n0.755162 0.465276 0.789397 O\n0.271759 0.414398 0.428740 O\n0.736044 0.465762 0.289576 O\n0.274393 0.534728 0.711554 O\n0.733867 0.585766 0.571519 O\n0.276005 0.535159 0.211273 O\n0.740156 0.585673 0.071649 O\n0.056786 0.685142 0.892858 O\n0.442346 0.677259 0.916079 O\n0.445209 0.689376 0.410644 O\n0.058816 0.671703 0.399536 O\n0.726845 0.827210 0.764102 O\n0.267154 0.907958 0.669450 O\n0.740475 0.827564 0.263998 O\n0.754696 0.895560 0.972342 O\n0.270759 0.907604 0.168067 O\n0.760101 0.896295 0.472477 O\n",
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"volume": 530.7075059141841,
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"formula_full": "Li4 Mn4 P4 C4 O28",
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{
"id": "mp-1176696",
"created_at": "2022-09-04T14:46:24.181641Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n16.966870 0.101907 0.045512\n0.447549 5.154946 0.005400\n0.017776 0.004785 6.437518\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.057730 0.771734 0.250575 Li\n0.442601 0.223370 0.757366 Li\n0.641224 0.246059 0.452261 Li\n0.944023 0.225911 0.750813 Li\n0.166935 0.801685 0.750031 Fe\n0.333554 0.204775 0.247808 Fe\n0.669088 0.803296 0.757467 Fe\n0.831264 0.197700 0.254078 Fe\n0.212410 0.734158 0.249708 P\n0.287699 0.271016 0.748187 P\n0.711438 0.735216 0.255899 P\n0.788253 0.276332 0.747935 P\n0.021451 0.702553 0.751552 C\n0.477931 0.284934 0.259831 C\n0.524308 0.703853 0.740138 C\n0.978213 0.294270 0.247950 C\n0.033362 0.945807 0.751614 O\n0.044341 0.386820 0.249652 O\n0.085476 0.541305 0.750928 O\n0.155879 0.799222 0.062850 O\n0.155652 0.799625 0.437473 O\n0.213503 0.121365 0.749163 O\n0.239655 0.440598 0.249824 O\n0.259567 0.564127 0.748448 O\n0.285775 0.884676 0.248770 O\n0.343627 0.207368 0.560688 O\n0.343106 0.207514 0.935729 O\n0.420302 0.467910 0.246697 O\n0.458470 0.610192 0.741936 O\n0.453323 0.055082 0.248609 O\n0.535742 0.946379 0.750772 O\n0.548822 0.328293 0.282262 O\n0.588705 0.542117 0.729114 O\n0.662676 0.795767 0.058246 O\n0.658757 0.840753 0.440342 O\n0.710926 0.140089 0.733137 O\n0.732003 0.434928 0.282832 O\n0.763422 0.570944 0.741072 O\n0.789413 0.868156 0.251620 O\n0.846273 0.199122 0.565950 O\n0.838726 0.204183 0.942409 O\n0.914146 0.454480 0.246784 O\n0.955336 0.610263 0.752017 O\n0.966986 0.050537 0.247475 O\n",
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"formula_full": "Li4 Fe4 P4 C4 O28",
"formula_reduced": "LiFePCO7",
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{
"id": "mp-779101",
"created_at": "2022-09-04T14:46:24.401269Z",
"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n6.430133 0.000000 0.000000\n0.000000 5.202948 0.000000\n0.000000 0.864404 8.410943\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.250000 0.771757 0.111507 Li\n0.750000 0.228243 0.888493 Li\n0.750000 0.800589 0.334090 Fe\n0.250000 0.199411 0.665910 Fe\n0.250000 0.734894 0.423639 P\n0.750000 0.265106 0.576361 P\n0.750000 0.702457 0.044096 C\n0.250000 0.297543 0.955904 C\n0.750000 0.943496 0.068959 O\n0.250000 0.385291 0.089516 O\n0.750000 0.539346 0.172331 O\n0.062550 0.800529 0.310547 O\n0.437450 0.800529 0.310547 O\n0.750000 0.117351 0.428058 O\n0.250000 0.443362 0.481173 O\n0.750000 0.556638 0.518827 O\n0.250000 0.882649 0.571942 O\n0.562550 0.199471 0.689453 O\n0.937450 0.199471 0.689453 O\n0.250000 0.460654 0.827669 O\n0.750000 0.614709 0.910484 O\n0.250000 0.056504 0.931041 O\n",
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"formula_full": "Li2 Fe2 P2 C2 O14",
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{
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