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{
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{
"id": "mp-772044",
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"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n6.426129 0.000000 0.000000\n0.000000 5.407741 0.000000\n0.000000 0.515931 9.047669\nNa V Si C O\n2 2 2 2 14\ndirect\n0.514186 0.764817 0.776121 Na\n0.014186 0.235183 0.223879 Na\n0.234085 0.201803 0.656224 V\n0.734085 0.798197 0.343776 V\n0.740158 0.275235 0.561955 Si\n0.240158 0.724765 0.438045 Si\n0.256540 0.277641 0.919886 C\n0.756540 0.722359 0.080114 C\n0.755489 0.689820 0.946863 O\n0.250418 0.056876 0.859828 O\n0.259529 0.453340 0.811161 O\n0.953103 0.213644 0.658636 O\n0.540125 0.205149 0.662333 O\n0.254367 0.894821 0.583502 O\n0.744149 0.568999 0.501902 O\n0.244149 0.431001 0.498098 O\n0.754367 0.105179 0.416498 O\n0.040125 0.794851 0.337667 O\n0.453103 0.786356 0.341364 O\n0.759529 0.546660 0.188839 O\n0.750418 0.943124 0.140172 O\n0.255489 0.310180 0.053137 O\n",
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{
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"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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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.68586431,
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"spacegroup": 14
},
{
"id": "mp-25414",
"created_at": "2022-09-04T14:46:36.719451Z",
"structure_string": "Li2 P2 W2 C2 O14\n1.0\n6.535484 0.000000 0.000000\n0.000000 5.167073 0.000000\n0.000000 0.695562 8.893352\nLi P W C O\n2 2 2 2 14\ndirect\n0.992953 0.260746 0.212325 Li\n0.492953 0.739254 0.787675 Li\n0.249544 0.714368 0.427073 P\n0.749544 0.285632 0.572927 P\n0.744855 0.792568 0.328509 W\n0.244855 0.207432 0.671491 W\n0.756456 0.717653 0.050252 C\n0.256456 0.282347 0.949748 C\n0.558319 0.184612 0.660774 O\n0.759263 0.951154 0.111909 O\n0.276659 0.474912 0.841212 O\n0.776659 0.525088 0.158788 O\n0.434746 0.775386 0.324667 O\n0.767749 0.159494 0.422253 O\n0.934746 0.224614 0.675333 O\n0.267749 0.840506 0.577747 O\n0.058319 0.815388 0.339226 O\n0.233510 0.413819 0.462481 O\n0.729145 0.691833 0.916277 O\n0.229145 0.308167 0.083723 O\n0.733510 0.586181 0.537519 O\n0.259263 0.048846 0.888091 O\n",
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"formula_full": "Li2 P2 W2 C2 O14",
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},
{
"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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],
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"formula_full": "Na2 V2 As2 C2 O14",
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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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{
"id": "mp-754175",
"created_at": "2022-09-04T14:39:59.015454Z",
"structure_string": "K2 Ge2 P2 C2 O14\n1.0\n6.241186 0.000000 0.000000\n0.000000 5.129530 0.000000\n0.000000 0.401272 10.428487\nK Ge P C O\n2 2 2 2 14\ndirect\n0.638896 0.765232 0.799647 K\n0.138896 0.234768 0.200353 K\n0.221065 0.219992 0.640610 Ge\n0.721065 0.780008 0.359390 Ge\n0.724847 0.272964 0.553912 P\n0.224847 0.727036 0.446088 P\n0.255434 0.294684 0.861457 C\n0.755434 0.705316 0.138543 C\n0.791321 0.667877 0.024603 O\n0.233348 0.059915 0.809685 O\n0.240396 0.482571 0.767656 O\n0.916867 0.216903 0.644759 O\n0.532045 0.211341 0.642310 O\n0.226613 0.890986 0.566102 O\n0.721318 0.568907 0.512665 O\n0.221318 0.431093 0.487335 O\n0.726613 0.109014 0.433898 O\n0.032045 0.788659 0.357690 O\n0.416867 0.783097 0.355241 O\n0.740396 0.517429 0.232344 O\n0.733348 0.940085 0.190315 O\n0.291321 0.332123 0.975397 O\n",
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"formula_full": "K2 Ge2 P2 C2 O14",
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{
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"created_at": "2022-09-04T14:39:34.735356Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.232353 0.000000 0.000000\n-0.241321 10.408132 0.000000\n-0.012309 -4.792419 9.289598\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.954772 0.763795 0.757075 Na\n0.556018 0.761980 0.257396 Na\n0.039491 0.232763 0.737149 Na\n0.041159 0.234755 0.237724 Na\n0.250136 0.654087 0.934647 Mn\n0.250387 0.654220 0.435111 Mn\n0.733867 0.345876 0.566055 Mn\n0.737033 0.345688 0.065437 Mn\n0.747111 0.563731 0.920349 P\n0.751914 0.564053 0.420634 P\n0.240655 0.436079 0.580508 P\n0.242157 0.435776 0.079849 P\n0.254418 0.911585 0.094226 C\n0.264405 0.911837 0.594726 C\n0.752595 0.090047 0.405718 C\n0.740314 0.088713 0.905698 C\n0.769283 0.960276 0.322974 O\n0.748257 0.958609 0.823262 O\n0.248488 0.851934 0.952229 O\n0.273874 0.852279 0.452957 O\n0.263418 0.808450 0.136020 O\n0.258964 0.808603 0.636694 O\n0.941713 0.665776 0.932465 O\n0.555650 0.662413 0.939395 O\n0.945286 0.671401 0.448245 O\n0.559192 0.657211 0.424838 O\n0.745052 0.523687 0.546624 O\n0.239407 0.575719 0.723829 O\n0.749451 0.523883 0.046756 O\n0.247363 0.574984 0.223677 O\n0.746770 0.424806 0.776528 O\n0.232827 0.475325 0.953244 O\n0.764779 0.426317 0.276444 O\n0.233228 0.475255 0.453593 O\n0.430176 0.337471 0.565268 O\n0.044657 0.334562 0.567072 O\n0.433431 0.338265 0.065126 O\n0.047653 0.332624 0.064467 O\n0.746073 0.193636 0.364587 O\n0.739507 0.192252 0.864107 O\n0.740240 0.147585 0.547123 O\n0.734579 0.147658 0.047530 O\n0.251529 0.041892 0.176216 O\n0.256922 0.042140 0.676429 O\n",
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{
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"created_at": "2022-09-04T14:42:10.020314Z",
"structure_string": "K2 Ti2 P2 C2 O14\n1.0\n6.413776 0.000000 0.000000\n0.000000 5.634538 0.000000\n0.000000 0.220134 9.853787\nK Ti P C O\n2 2 2 2 14\ndirect\n0.568502 0.750081 0.770842 K\n0.068502 0.249919 0.229158 K\n0.223694 0.227860 0.653471 Ti\n0.723694 0.772140 0.346529 Ti\n0.729999 0.263516 0.549089 P\n0.229999 0.736484 0.450911 P\n0.264066 0.281660 0.897270 C\n0.764066 0.718340 0.102730 C\n0.795971 0.694199 0.981301 O\n0.250593 0.073233 0.833660 O\n0.241148 0.457294 0.804416 O\n0.924031 0.227041 0.641199 O\n0.539186 0.227432 0.641686 O\n0.234121 0.919654 0.564913 O\n0.730837 0.517942 0.486297 O\n0.230837 0.482058 0.513703 O\n0.734121 0.080346 0.435087 O\n0.039186 0.772568 0.358314 O\n0.424031 0.772959 0.358801 O\n0.741148 0.542706 0.195584 O\n0.750593 0.926767 0.166340 O\n0.295971 0.305801 0.018699 O\n",
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{
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{
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{
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"structure_string": "Na4 V4 P4 C4 O28\n1.0\n-0.000105 6.303234 -0.000025\n0.462087 -0.000050 10.659183\n9.082735 -0.000130 -5.328813\nNa V P C O\n4 4 4 4 28\ndirect\n0.469323 0.226880 0.223522 Na\n0.469314 0.726922 0.223608 Na\n0.969308 0.773101 0.776508 Na\n0.969343 0.273109 0.776417 Na\n0.771794 0.062626 0.338471 V\n0.271894 0.937455 0.661522 V\n0.771715 0.562603 0.338463 V\n0.271781 0.437362 0.661543 V\n0.263542 0.581622 0.442810 P\n0.263613 0.081630 0.442804 P\n0.763509 0.418383 0.557215 P\n0.763580 0.918361 0.557192 P\n0.739554 0.401489 0.085747 C\n0.739600 0.901522 0.085821 C\n0.239568 0.598520 0.914251 C\n0.239628 0.098466 0.914183 C\n0.241866 0.181202 0.043177 O\n0.241852 0.681175 0.043215 O\n0.741877 0.818824 0.956847 O\n0.741865 0.318807 0.956768 O\n0.743546 0.543819 0.145492 O\n0.743626 0.043855 0.145531 O\n0.243571 0.456171 0.854507 O\n0.243668 0.956169 0.854479 O\n0.735289 0.364769 0.191773 O\n0.735348 0.864833 0.191858 O\n0.235309 0.635218 0.808221 O\n0.235381 0.135201 0.808157 O\n0.063732 0.564266 0.345788 O\n0.063891 0.064255 0.345788 O\n0.563829 0.435714 0.654206 O\n0.563934 0.935727 0.654216 O\n0.453597 0.572101 0.346751 O\n0.453700 0.072146 0.346801 O\n0.953645 0.427869 0.653214 O\n0.953779 0.927831 0.653170 O\n0.750705 0.274538 0.421457 O\n0.750688 0.774535 0.421417 O\n0.250743 0.725471 0.578539 O\n0.250676 0.225455 0.578558 O\n0.264495 0.457433 0.479553 O\n0.264608 0.957472 0.479594 O\n0.764489 0.542555 0.520427 O\n0.764621 0.042536 0.520419 O\n",
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{
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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",
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]
}