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{
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{
"id": "mp-774775",
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"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-769564",
"created_at": "2022-09-04T14:44:03.828996Z",
"structure_string": "Na4 V4 P4 C4 O28\n1.0\n0.357850 5.461851 0.000000\n0.000000 0.000000 6.433468\n17.332563 -0.568031 -0.000002\nNa V P C O\n4 4 4 4 28\ndirect\n0.777694 0.250001 0.038937 Na\n0.777920 0.250002 0.538923 Na\n0.222327 0.749999 0.461056 Na\n0.222065 0.749997 0.961080 Na\n0.773131 0.750001 0.669156 V\n0.226962 0.249998 0.830843 V\n0.773067 0.750001 0.169187 V\n0.226895 0.249999 0.330786 V\n0.739191 0.250000 0.217124 P\n0.739268 0.250000 0.717133 P\n0.260790 0.750000 0.282859 P\n0.260758 0.750000 0.782899 P\n0.697574 0.750001 0.030619 C\n0.697816 0.750001 0.530479 C\n0.302425 0.249998 0.469360 C\n0.302220 0.250000 0.969531 C\n0.344167 0.249999 0.039381 O\n0.344557 0.249998 0.539268 O\n0.655842 0.750001 0.460631 O\n0.655432 0.750002 0.960715 O\n0.919906 0.750001 0.059817 O\n0.920088 0.750002 0.559742 O\n0.080087 0.250000 0.440165 O\n0.079954 0.250003 0.940258 O\n0.527569 0.749999 0.086991 O\n0.527719 0.750001 0.586863 O\n0.472428 0.249998 0.412993 O\n0.472339 0.249999 0.913151 O\n0.073248 0.750001 0.217793 O\n0.072841 0.750002 0.717901 O\n0.926723 0.249999 0.282193 O\n0.927100 0.249997 0.782138 O\n0.479211 0.250000 0.254794 O\n0.479531 0.249999 0.754925 O\n0.520767 0.750000 0.245186 O\n0.520434 0.750002 0.745091 O\n0.775539 0.059690 0.163987 O\n0.775449 0.059703 0.663983 O\n0.775541 0.440311 0.163987 O\n0.775452 0.440299 0.663984 O\n0.224460 0.559689 0.335997 O\n0.224527 0.559694 0.836047 O\n0.224460 0.940310 0.335997 O\n0.224528 0.940303 0.836049 O\n",
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],
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"formula_full": "Na4 V4 P4 C4 O28",
"formula_reduced": "NaVPCO7",
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"energy": -342.60172553,
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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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"volume": 328.27413744340936,
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"formula_full": "Na2 Sn2 P2 C2 O14",
"formula_reduced": "NaSnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -158.40413899,
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"updated_at": "2021-11-28T01:35:59.416000Z",
"spacegroup": 4
},
{
"id": "mp-767717",
"created_at": "2022-09-04T14:45:33.636719Z",
"structure_string": "Na2 Pr2 P2 C2 O14\n1.0\n7.208512 0.000000 0.000000\n0.000000 5.363737 0.000000\n0.000000 0.130243 9.795476\nNa Pr P C O\n2 2 2 2 14\ndirect\n0.533291 0.769569 0.771464 Na\n0.033291 0.230431 0.228536 Na\n0.222226 0.219736 0.628246 Pr\n0.722226 0.780264 0.371754 Pr\n0.730071 0.283157 0.583818 P\n0.230071 0.716843 0.416182 P\n0.276448 0.276846 0.930542 C\n0.776448 0.723154 0.069458 C\n0.742521 0.691007 0.944136 O\n0.284760 0.054338 0.882123 O\n0.297146 0.461149 0.845678 O\n0.906887 0.212467 0.663254 O\n0.556327 0.156971 0.645880 O\n0.250826 0.794935 0.569920 O\n0.701647 0.571700 0.580040 O\n0.201647 0.428300 0.419960 O\n0.750826 0.205065 0.430080 O\n0.056327 0.843029 0.354120 O\n0.406887 0.787533 0.336746 O\n0.797146 0.538851 0.154322 O\n0.784760 0.945662 0.117877 O\n0.242521 0.308993 0.055864 O\n",
"nsites": 22,
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"formula_full": "Na2 Pr2 P2 C2 O14",
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},
{
"id": "mp-769633",
"created_at": "2022-09-04T14:42:13.381568Z",
"structure_string": "Na2 Fe2 P2 C2 O14\n1.0\n9.212029 0.000000 -0.024986\n0.000000 6.448095 0.000000\n0.213354 0.000000 5.277533\nNa Fe P C O\n2 2 2 2 14\ndirect\n0.240377 0.473238 0.236328 Na\n0.759623 0.973238 0.763672 Na\n0.355884 0.765578 0.789152 Fe\n0.644116 0.265578 0.210848 Fe\n0.429576 0.256623 0.723196 P\n0.570424 0.756623 0.276804 P\n0.082177 0.744032 0.725510 C\n0.917823 0.244032 0.274490 C\n0.051793 0.244278 0.309139 O\n0.136550 0.747987 0.948246 O\n0.179055 0.741597 0.539600 O\n0.335013 0.064865 0.783051 O\n0.338196 0.449577 0.797470 O\n0.427168 0.745595 0.131376 O\n0.470106 0.264482 0.432869 O\n0.529894 0.764482 0.567131 O\n0.572832 0.245595 0.868624 O\n0.661804 0.949577 0.202530 O\n0.664987 0.564865 0.216949 O\n0.820945 0.241597 0.460400 O\n0.863450 0.247987 0.051754 O\n0.948207 0.744278 0.690861 O\n",
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{
"id": "mp-768630",
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"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.263651 0.000000 0.000000\n-1.772176 8.093380 0.000000\n-0.475658 -0.631735 8.395708\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.237532 0.987607 0.107337 Li\n0.605481 0.155907 0.282567 Li\n0.261149 0.511738 0.892976 Li\n0.768779 0.010186 0.886965 Li\n0.474333 0.718953 0.334306 Fe\n0.979482 0.225507 0.337534 Fe\n0.024853 0.772276 0.660784 Fe\n0.523454 0.276583 0.667036 Fe\n0.754873 0.504313 0.423456 P\n0.263110 0.008435 0.421576 P\n0.737186 0.989018 0.576071 P\n0.238512 0.492285 0.579031 P\n0.528426 0.777089 0.046465 C\n0.019889 0.277844 0.047303 C\n0.977956 0.730664 0.954984 C\n0.480459 0.216997 0.953978 C\n0.408683 0.655103 0.074007 O\n0.902422 0.153621 0.076768 O\n0.948521 0.699132 0.096932 O\n0.607765 0.862358 0.174667 O\n0.456001 0.170486 0.092062 O\n0.101871 0.361924 0.174147 O\n0.625540 0.567238 0.319643 O\n0.798371 0.360057 0.319354 O\n0.321206 0.882908 0.304709 O\n0.135442 0.073682 0.313644 O\n0.908388 0.643993 0.474326 O\n0.801001 0.066021 0.421735 O\n0.308847 0.565294 0.427915 O\n0.419466 0.152086 0.468973 O\n0.587309 0.845387 0.522204 O\n0.682948 0.438042 0.579187 O\n0.190601 0.936419 0.570717 O\n0.090173 0.346365 0.524455 O\n0.869516 0.928224 0.679363 O\n0.180443 0.619162 0.692898 O\n0.680732 0.116369 0.690973 O\n0.365453 0.428725 0.687643 O\n0.889868 0.642313 0.836606 O\n0.570452 0.819492 0.911707 O\n0.387688 0.141845 0.828571 O\n0.061055 0.317335 0.911649 O\n0.594824 0.337922 0.915248 O\n0.096701 0.851849 0.921711 O\n",
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"formula_full": "Li4 Fe4 P4 C4 O28",
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{
"id": "mp-1215650",
"created_at": "2022-09-04T14:42:55.578925Z",
"structure_string": "Yb2 Ti2 Cd2 Sb2 O14\n1.0\n-3.601473 3.708917 5.172510\n3.601473 -3.708917 5.172510\n3.601473 3.708917 -5.172510\nYb Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.120794 0.870794 0.250000 O\n0.879206 0.129206 0.750000 O\n0.429855 0.179855 0.250000 O\n0.829230 0.579230 0.250000 O\n0.432090 0.580321 0.259228 O\n0.821093 0.172861 0.240772 O\n0.432090 0.172861 0.851769 O\n0.821093 0.580321 0.648231 O\n0.570145 0.820145 0.750000 O\n0.170770 0.420770 0.750000 O\n0.567910 0.419679 0.740772 O\n0.178907 0.827139 0.759228 O\n0.567910 0.827139 0.148231 O\n0.178907 0.419679 0.351769 O\n",
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{
"id": "mp-761016",
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"structure_string": "Na2 Mn2 P2 C2 O14\n1.0\n5.158492 0.000000 0.000000\n-0.172110 6.191394 0.000000\n-0.262831 -0.292752 9.427246\nNa Mn P C O\n2 2 2 2 14\ndirect\n0.252842 0.051838 0.769975 Na\n0.747158 0.948162 0.230025 Na\n0.784291 0.752280 0.649586 Mn\n0.215709 0.247720 0.350414 Mn\n0.721338 0.243499 0.562111 P\n0.278662 0.756501 0.437889 P\n0.708097 0.750544 0.900522 C\n0.291903 0.249456 0.099478 C\n0.335386 0.241725 0.972137 O\n0.939500 0.766677 0.844110 O\n0.525972 0.727582 0.797645 O\n0.833120 0.448351 0.640561 O\n0.753386 0.065282 0.674907 O\n0.128806 0.811015 0.572548 O\n0.427285 0.255916 0.524953 O\n0.572715 0.744084 0.475047 O\n0.871194 0.188985 0.427452 O\n0.246614 0.934718 0.325093 O\n0.166880 0.551649 0.359439 O\n0.474028 0.272418 0.202355 O\n0.060500 0.233323 0.155890 O\n0.664614 0.758275 0.027863 O\n",
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{
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{
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{
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"structure_string": "K2 Si2 P2 C2 O14\n1.0\n6.008843 0.000000 0.000000\n0.000000 5.097327 0.000000\n0.000000 0.216692 10.108653\nK Si P C O\n2 2 2 2 14\ndirect\n0.632427 0.751218 0.790213 K\n0.132427 0.248782 0.209787 K\n0.222079 0.232928 0.645567 Si\n0.722079 0.767072 0.354433 Si\n0.725445 0.264633 0.552256 P\n0.225445 0.735367 0.447744 P\n0.256545 0.287426 0.865853 C\n0.756545 0.712574 0.134147 C\n0.798770 0.680526 0.016568 O\n0.234253 0.058471 0.803778 O\n0.235264 0.477634 0.771632 O\n0.925044 0.232371 0.647305 O\n0.524608 0.230333 0.645496 O\n0.224981 0.942505 0.554918 O\n0.722734 0.546672 0.492637 O\n0.222734 0.453328 0.507363 O\n0.724981 0.057495 0.445082 O\n0.024608 0.769667 0.354504 O\n0.425044 0.767629 0.352695 O\n0.735264 0.522366 0.228368 O\n0.734253 0.941529 0.196222 O\n0.298770 0.319474 0.983432 O\n",
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{
"id": "mp-756295",
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"structure_string": "Li4 V4 As4 C4 O28\n1.0\n0.250783 6.429424 5.504417\n0.249376 -6.430162 5.505452\n8.672941 0.001361 -5.445789\nLi V As C O\n4 4 4 4 28\ndirect\n0.497078 0.917088 0.167080 Li\n0.997117 0.417095 0.167156 Li\n0.832782 0.752793 0.832778 Li\n0.332792 0.252848 0.832840 Li\n0.427715 0.692180 0.326143 V\n0.057803 0.822436 0.673885 V\n0.927595 0.192085 0.326083 V\n0.557781 0.322472 0.673891 V\n0.694272 0.460928 0.442581 As\n0.194266 0.960939 0.442609 As\n0.789069 0.055803 0.557427 As\n0.289040 0.555767 0.557419 As\n0.775863 0.016580 0.059003 C\n0.275860 0.516635 0.059069 C\n0.733411 0.474108 0.940973 C\n0.233392 0.974126 0.940948 C\n0.338932 0.027891 0.071647 O\n0.838945 0.527857 0.071670 O\n0.222053 0.411074 0.928347 O\n0.722073 0.911059 0.928290 O\n0.900833 0.167497 0.120163 O\n0.400840 0.667552 0.120199 O\n0.582431 0.349223 0.879836 O\n0.082413 0.849243 0.879818 O\n0.725662 0.993240 0.164588 O\n0.225682 0.493331 0.164673 O\n0.756775 0.524278 0.835391 O\n0.256764 0.024275 0.835344 O\n0.573691 0.549762 0.329523 O\n0.073672 0.049714 0.329507 O\n0.699983 0.176188 0.670399 O\n0.199966 0.676199 0.670384 O\n0.779709 0.341627 0.327397 O\n0.279742 0.841689 0.327414 O\n0.908502 0.970574 0.672704 O\n0.408499 0.470575 0.672716 O\n0.625874 0.904302 0.395541 O\n0.125849 0.404236 0.395534 O\n0.845481 0.624445 0.604462 O\n0.345490 0.124462 0.604481 O\n0.557937 0.327929 0.480626 O\n0.057918 0.827901 0.480604 O\n0.922088 0.192153 0.519418 O\n0.422056 0.692143 0.519440 O\n",
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}