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{
"id": "mp-768250",
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"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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{
"id": "mp-1176696",
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"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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"spacegroup": 1
},
{
"id": "mp-774241",
"created_at": "2022-09-04T14:46:17.136140Z",
"structure_string": "Na2 V2 As2 C2 O14\n1.0\n9.454189 0.000463 0.067249\n0.000318 6.506360 0.000032\n0.273434 0.000040 5.507097\nNa V As C O\n2 2 2 2 14\ndirect\n0.203258 0.492698 0.224484 Na\n0.796751 0.992692 0.775503 Na\n0.333830 0.767706 0.789435 V\n0.666147 0.267576 0.210556 V\n0.444302 0.261057 0.719555 As\n0.555708 0.760901 0.280412 As\n0.085117 0.741601 0.715427 C\n0.914851 0.241661 0.284577 C\n0.041359 0.248968 0.323181 O\n0.139646 0.743853 0.935073 O\n0.191804 0.734287 0.543884 O\n0.336591 0.049408 0.790516 O\n0.333688 0.458578 0.804904 O\n0.405371 0.745363 0.125411 O\n0.481972 0.254457 0.411161 O\n0.518059 0.754559 0.588884 O\n0.594663 0.245479 0.874559 O\n0.666286 0.958527 0.195026 O\n0.663430 0.549308 0.209515 O\n0.808181 0.234266 0.456136 O\n0.860353 0.243836 0.064946 O\n0.958631 0.748918 0.676856 O\n",
"nsites": 22,
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"elements": [
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"formula_full": "Na2 V2 As2 C2 O14",
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},
{
"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",
"formula_reduced": "LiMnPCO7",
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"spacegroup": 1
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{
"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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{
"id": "mp-772605",
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"structure_string": "Na2 Sn2 As2 C2 O14\n1.0\n6.837000 0.000000 0.000000\n0.000000 5.437867 0.000000\n0.000000 0.479896 9.518588\nNa Sn As C O\n2 2 2 2 14\ndirect\n0.501415 0.775293 0.811726 Na\n0.001415 0.224707 0.188274 Na\n0.240209 0.212230 0.659795 Sn\n0.740209 0.787770 0.340205 Sn\n0.746581 0.276335 0.567440 As\n0.246581 0.723665 0.432560 As\n0.259644 0.279383 0.922172 C\n0.759644 0.720617 0.077828 C\n0.751749 0.684534 0.951572 O\n0.255932 0.056556 0.867139 O\n0.269174 0.461933 0.820258 O\n0.939433 0.201429 0.674723 O\n0.549421 0.177626 0.664865 O\n0.257922 0.853716 0.593491 O\n0.730672 0.593308 0.532275 O\n0.230672 0.406692 0.467725 O\n0.757922 0.146284 0.406509 O\n0.049421 0.822374 0.335135 O\n0.439433 0.798571 0.325277 O\n0.769174 0.538067 0.179742 O\n0.755932 0.943444 0.132861 O\n0.251749 0.315466 0.048428 O\n",
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{
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"structure_string": "K2 Hf2 P2 C2 O14\n1.0\n6.647344 0.000000 0.000000\n0.000000 5.783183 0.000000\n0.000000 0.160988 9.974894\nK Hf P C O\n2 2 2 2 14\ndirect\n0.550488 0.747503 0.782133 K\n0.050488 0.252497 0.217867 K\n0.225014 0.222427 0.653420 Hf\n0.725014 0.777573 0.346580 Hf\n0.730810 0.270528 0.551236 P\n0.230810 0.729472 0.448764 P\n0.268216 0.278654 0.905024 C\n0.768216 0.721346 0.094976 C\n0.794825 0.693735 0.974057 O\n0.257241 0.072429 0.844321 O\n0.247860 0.451045 0.813483 O\n0.917486 0.230423 0.640915 O\n0.542188 0.229056 0.637921 O\n0.237056 0.900838 0.566597 O\n0.730966 0.520965 0.493694 O\n0.230966 0.479035 0.506306 O\n0.737056 0.099162 0.433403 O\n0.042188 0.770944 0.362079 O\n0.417486 0.769577 0.359085 O\n0.747860 0.548955 0.186517 O\n0.757241 0.927571 0.155679 O\n0.294825 0.306265 0.025943 O\n",
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{
"id": "mp-770902",
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"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",
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{
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