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{
"id": "mp-768127",
"created_at": "2022-09-04T14:42:44.958253Z",
"structure_string": "Na2 Sn2 P2 C2 O14\n1.0\n6.614185 0.000000 0.000000\n0.000000 5.320214 0.000000\n0.000000 0.390542 9.328917\nNa Sn P C O\n2 2 2 2 14\ndirect\n0.520185 0.760927 0.784178 Na\n0.020185 0.239073 0.215822 Na\n0.235589 0.217907 0.657539 Sn\n0.735589 0.782093 0.342461 Sn\n0.743083 0.274526 0.567676 P\n0.243083 0.725474 0.432324 P\n0.258845 0.275529 0.924476 C\n0.758845 0.724471 0.075524 C\n0.754328 0.692253 0.945803 O\n0.256463 0.050793 0.864044 O\n0.263575 0.466948 0.823248 O\n0.926086 0.212186 0.664276 O\n0.556131 0.193581 0.656614 O\n0.255565 0.861793 0.576096 O\n0.732300 0.564737 0.531220 O\n0.232300 0.435263 0.468780 O\n0.755565 0.138207 0.423904 O\n0.056131 0.806419 0.343386 O\n0.426086 0.787814 0.335724 O\n0.763575 0.533052 0.176752 O\n0.756463 0.949207 0.135956 O\n0.254328 0.307747 0.054197 O\n",
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{
"id": "mp-772152",
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"structure_string": "Na2 Co2 As2 C2 O14\n1.0\n6.234898 0.000000 0.000000\n0.000000 5.331750 0.000000\n0.000000 0.505634 9.231897\nNa Co As C O\n2 2 2 2 14\ndirect\n0.521502 0.764270 0.769872 Na\n0.021502 0.235730 0.230128 Na\n0.241595 0.214003 0.667565 Co\n0.741595 0.785997 0.332435 Co\n0.747593 0.282975 0.561221 As\n0.247593 0.717025 0.438779 As\n0.253687 0.273796 0.918652 C\n0.753687 0.726204 0.081348 C\n0.754070 0.692065 0.951113 O\n0.250019 0.055300 0.859041 O\n0.254979 0.454925 0.813559 O\n0.950269 0.212165 0.686588 O\n0.542853 0.201550 0.681544 O\n0.253890 0.878665 0.592898 O\n0.731692 0.603554 0.521027 O\n0.231692 0.396446 0.478973 O\n0.753890 0.121335 0.407102 O\n0.042853 0.798450 0.318456 O\n0.450269 0.787835 0.313412 O\n0.754979 0.545075 0.186441 O\n0.750019 0.944700 0.140959 O\n0.254070 0.307935 0.048887 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.07168571144510849,
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"formula_full": "Na2 Co2 As2 C2 O14",
"formula_reduced": "NaCoAsCO7",
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"updated_at": "2021-11-28T01:35:52.418000Z",
"spacegroup": 4
},
{
"id": "mp-770820",
"created_at": "2022-09-04T14:40:10.998150Z",
"structure_string": "Na2 Co2 C2 S2 O14\n1.0\n6.646153 0.000000 0.000000\n0.000000 5.160444 0.000000\n0.000000 0.322298 8.939717\nNa Co C S O\n2 2 2 2 14\ndirect\n0.520520 0.765676 0.768472 Na\n0.020520 0.234324 0.231528 Na\n0.235830 0.217205 0.655533 Co\n0.735830 0.782795 0.344467 Co\n0.257091 0.275855 0.917345 C\n0.757091 0.724145 0.082655 C\n0.745719 0.276752 0.572418 S\n0.245719 0.723248 0.427582 S\n0.754257 0.691446 0.946261 O\n0.253433 0.050306 0.853246 O\n0.260535 0.462928 0.812435 O\n0.922820 0.221647 0.666950 O\n0.564683 0.196287 0.658712 O\n0.256364 0.861123 0.572126 O\n0.730897 0.563603 0.535051 O\n0.230897 0.436397 0.464949 O\n0.756364 0.138877 0.427874 O\n0.064683 0.803713 0.341288 O\n0.422820 0.778353 0.333050 O\n0.760535 0.537072 0.187565 O\n0.753433 0.949694 0.146754 O\n0.254257 0.308554 0.053739 O\n",
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"formula_full": "Na2 Co2 C2 S2 O14",
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},
{
"id": "mp-25412",
"created_at": "2022-09-04T14:39:36.647197Z",
"structure_string": "Li2 Ni2 P2 C2 O14\n1.0\n6.352985 0.000000 0.000000\n0.000000 5.089037 0.000000\n0.000000 0.598474 8.613402\nLi Ni P C O\n2 2 2 2 14\ndirect\n0.993724 0.222339 0.231472 Li\n0.493724 0.777661 0.768528 Li\n0.750276 0.791277 0.339655 Ni\n0.250276 0.208723 0.660345 Ni\n0.251816 0.720276 0.428949 P\n0.751816 0.279724 0.571051 P\n0.750469 0.722437 0.062714 C\n0.250469 0.277563 0.937286 C\n0.441265 0.782862 0.320181 O\n0.757903 0.953487 0.118182 O\n0.271039 0.470335 0.830624 O\n0.771039 0.529665 0.169376 O\n0.566288 0.167860 0.671280 O\n0.771348 0.150634 0.415869 O\n0.941265 0.217138 0.679819 O\n0.257903 0.046513 0.881818 O\n0.066288 0.832140 0.328720 O\n0.228927 0.417573 0.461159 O\n0.720148 0.688287 0.922429 O\n0.220148 0.311713 0.077571 O\n0.728927 0.582427 0.538841 O\n0.271348 0.849366 0.584131 O\n",
"nsites": 22,
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"elements": [
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"density": 2.631027031459068,
"density_atomic": 0.07900135234672498,
"volume": 278.47624561469945,
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"formula_full": "Li2 Ni2 P2 C2 O14",
"formula_reduced": "LiNiPCO7",
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"energy": -153.74287170999995,
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"updated_at": "2021-11-28T01:34:26.288000Z",
"spacegroup": 4
},
{
"id": "mp-774775",
"created_at": "2022-09-04T14:39:45.227612Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n8.131296 0.000000 0.000000\n-1.507497 8.004849 0.000000\n-0.237787 -0.266768 9.154004\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.146090 0.600851 0.754513 Na\n0.850377 0.896032 0.754988 Na\n0.149623 0.103968 0.245012 Na\n0.853910 0.399149 0.245487 Na\n0.273724 0.021939 0.659595 Mn\n0.760768 0.512320 0.655428 Mn\n0.239232 0.487680 0.344572 Mn\n0.726276 0.978061 0.340405 Mn\n0.484846 0.737458 0.566785 P\n0.982951 0.231296 0.565970 P\n0.515154 0.262542 0.433215 P\n0.017049 0.768704 0.434030 P\n0.737001 0.491972 0.918427 C\n0.240115 0.986134 0.920524 C\n0.262999 0.508028 0.081573 C\n0.759885 0.013866 0.079476 C\n0.276313 0.518705 0.948780 O\n0.777774 0.034136 0.948021 O\n0.351777 0.099511 0.860159 O\n0.851693 0.602538 0.852589 O\n0.641326 0.396494 0.819017 O\n0.144478 0.892464 0.815748 O\n0.619386 0.677136 0.665410 O\n0.110503 0.167582 0.668493 O\n0.416920 0.858971 0.672402 O\n0.925315 0.368306 0.663116 O\n0.338569 0.588779 0.526500 O\n0.443060 0.184729 0.573117 O\n0.941158 0.694984 0.576912 O\n0.835675 0.084969 0.525053 O\n0.661431 0.411221 0.473500 O\n0.556940 0.815271 0.426883 O\n0.058842 0.305016 0.423088 O\n0.164325 0.915031 0.474947 O\n0.583080 0.141029 0.327598 O\n0.380614 0.322864 0.334590 O\n0.074685 0.631694 0.336884 O\n0.889497 0.832418 0.331507 O\n0.358674 0.603506 0.180983 O\n0.855522 0.107536 0.184252 O\n0.648223 0.900489 0.139841 O\n0.148307 0.397462 0.147411 O\n0.723687 0.481295 0.051220 O\n0.222226 0.965864 0.051979 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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{
"id": "mp-768061",
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.243646 0.000000 0.000000\n0.000000 10.300846 0.000000\n0.000000 4.973225 9.177794\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.970113 0.759129 0.993855 Na\n0.529887 0.759129 0.493855 Na\n0.029887 0.240871 0.006145 Na\n0.470113 0.240871 0.506145 Na\n0.252370 0.658300 0.812207 Mn\n0.247630 0.658300 0.312207 Mn\n0.747630 0.341700 0.187793 Mn\n0.752370 0.341700 0.687793 Mn\n0.749764 0.567136 0.825563 P\n0.750236 0.567136 0.325563 P\n0.250236 0.432864 0.174437 P\n0.249764 0.432864 0.674437 P\n0.240781 0.923238 0.653085 C\n0.259219 0.923238 0.153085 C\n0.759219 0.076762 0.346915 C\n0.740781 0.076762 0.846915 C\n0.763441 0.942583 0.429226 O\n0.736559 0.942583 0.929226 O\n0.240094 0.858666 0.797231 O\n0.259906 0.858666 0.297231 O\n0.248813 0.821426 0.608929 O\n0.251187 0.821426 0.108929 O\n0.943354 0.667306 0.813124 O\n0.557558 0.671916 0.799684 O\n0.942442 0.671916 0.299684 O\n0.556646 0.667306 0.313124 O\n0.749181 0.524384 0.201227 O\n0.251157 0.574154 0.026946 O\n0.750819 0.524384 0.701227 O\n0.248843 0.574154 0.526946 O\n0.748843 0.425846 0.973054 O\n0.250819 0.475616 0.798773 O\n0.751157 0.425846 0.473054 O\n0.249181 0.475616 0.298773 O\n0.442442 0.328084 0.200316 O\n0.056646 0.332694 0.186876 O\n0.443354 0.332694 0.686876 O\n0.057558 0.328084 0.700316 O\n0.751187 0.178574 0.391071 O\n0.748813 0.178574 0.891071 O\n0.759906 0.141334 0.202769 O\n0.740094 0.141334 0.702769 O\n0.236559 0.057417 0.570774 O\n0.263441 0.057417 0.070774 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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"spacegroup": 14
},
{
"id": "mp-769584",
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"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n6.258094 0.000000 0.000000\n0.000000 5.253293 0.000000\n0.000000 0.392391 9.036438\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.524248 0.760869 0.764168 Na\n0.024248 0.239131 0.235832 Na\n0.238700 0.215588 0.656945 Mn\n0.738700 0.784412 0.343055 Mn\n0.744854 0.278555 0.566767 P\n0.244854 0.721445 0.433233 P\n0.255416 0.274346 0.921167 C\n0.755416 0.725654 0.078833 C\n0.760836 0.691297 0.944984 O\n0.250219 0.051156 0.860109 O\n0.252787 0.460069 0.816851 O\n0.935973 0.215378 0.670555 O\n0.550869 0.204763 0.666813 O\n0.252453 0.871325 0.575549 O\n0.735793 0.569208 0.525170 O\n0.235793 0.430792 0.474830 O\n0.752453 0.128675 0.424451 O\n0.050869 0.795237 0.333187 O\n0.435973 0.784622 0.329445 O\n0.752787 0.539931 0.183149 O\n0.750219 0.948844 0.139891 O\n0.260836 0.308703 0.055016 O\n",
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"formula_full": "Na2 Mn2 P2 C2 O14",
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{
"id": "mp-770248",
"created_at": "2022-09-04T14:40:58.614343Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.240134 0.000000 0.000000\n0.000000 8.421036 0.000000\n0.000000 0.743210 10.230409\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.971163 0.742465 0.625892 Li\n0.528837 0.742465 0.125892 Li\n0.028837 0.257535 0.374108 Li\n0.471163 0.257535 0.874108 Li\n0.250133 0.669663 0.354331 Mn\n0.249867 0.669663 0.854331 Mn\n0.749867 0.330337 0.645669 Mn\n0.750133 0.330337 0.145669 Mn\n0.756684 0.574088 0.387649 P\n0.743316 0.574088 0.887649 P\n0.243316 0.425912 0.612351 P\n0.256684 0.425912 0.112351 P\n0.245143 0.949074 0.395278 C\n0.254857 0.949074 0.895278 C\n0.754857 0.050926 0.604722 C\n0.745143 0.050926 0.104722 C\n0.262225 0.893989 0.278532 O\n0.767780 0.909857 0.581686 O\n0.237775 0.893989 0.778532 O\n0.241215 0.828041 0.486807 O\n0.732220 0.909857 0.081686 O\n0.258785 0.828041 0.986807 O\n0.946218 0.686206 0.348368 O\n0.559471 0.675232 0.342246 O\n0.940529 0.675232 0.842246 O\n0.553782 0.686206 0.848368 O\n0.231461 0.584360 0.678824 O\n0.760934 0.535059 0.538732 O\n0.268539 0.584360 0.178824 O\n0.739066 0.535059 0.038732 O\n0.239066 0.464941 0.461268 O\n0.768539 0.415640 0.321176 O\n0.260934 0.464941 0.961268 O\n0.731461 0.415640 0.821176 O\n0.053782 0.313794 0.651632 O\n0.440529 0.324768 0.657754 O\n0.446218 0.313794 0.151632 O\n0.059471 0.324768 0.157754 O\n0.758785 0.171959 0.513193 O\n0.232220 0.090143 0.418314 O\n0.741215 0.171959 0.013193 O\n0.737775 0.106011 0.721468 O\n0.267780 0.090143 0.918314 O\n0.762225 0.106011 0.221468 O\n",
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"formula_full": "Li4 Mn4 P4 C4 O28",
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