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{
"id": "mp-25408",
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"structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n6.218402 0.000000 0.000000\n0.000000 5.159730 0.000000\n0.000000 0.536939 8.678073\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.975435 0.219773 0.204889 Li\n0.475435 0.780227 0.795111 Li\n0.753725 0.786714 0.340549 Mn\n0.253725 0.213286 0.659451 Mn\n0.257789 0.725684 0.430458 P\n0.757789 0.274316 0.569542 P\n0.747620 0.722210 0.067187 C\n0.247620 0.277790 0.932813 C\n0.450442 0.793497 0.323655 O\n0.757651 0.951517 0.127399 O\n0.266481 0.466246 0.821966 O\n0.766481 0.533754 0.178034 O\n0.563214 0.185060 0.671121 O\n0.767377 0.136248 0.416877 O\n0.950442 0.206503 0.676345 O\n0.257651 0.048483 0.872601 O\n0.063214 0.814940 0.328879 O\n0.246565 0.427914 0.470960 O\n0.716900 0.686983 0.930002 O\n0.216900 0.313017 0.069998 O\n0.746565 0.572086 0.529040 O\n0.267377 0.863752 0.583123 O\n",
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{
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"structure_string": "K2 Mn2 P2 C2 O14\n1.0\n6.211377 0.000000 0.000000\n0.000000 5.403057 0.000000\n0.000000 0.225941 10.006577\nK Mn P C O\n2 2 2 2 14\ndirect\n0.592241 0.755100 0.765017 K\n0.092241 0.244900 0.234983 K\n0.228837 0.226460 0.645824 Mn\n0.728837 0.773540 0.354176 Mn\n0.733635 0.274499 0.557339 P\n0.233635 0.725501 0.442661 P\n0.253973 0.280508 0.887582 C\n0.753973 0.719492 0.112418 C\n0.779886 0.687857 0.991389 O\n0.243651 0.064545 0.829659 O\n0.237210 0.462445 0.797025 O\n0.923319 0.220505 0.655599 O\n0.539339 0.224318 0.652860 O\n0.237564 0.892834 0.563841 O\n0.732497 0.552057 0.513619 O\n0.232497 0.447943 0.486381 O\n0.737564 0.107166 0.436159 O\n0.039339 0.775682 0.347140 O\n0.423319 0.779495 0.344401 O\n0.737210 0.537555 0.202975 O\n0.743651 0.935455 0.170341 O\n0.279886 0.312143 0.008611 O\n",
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"formula_full": "K2 Mn2 P2 C2 O14",
"formula_reduced": "KMnPCO7",
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{
"id": "mp-772778",
"created_at": "2022-09-04T14:45:16.307370Z",
"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-756953",
"created_at": "2022-09-04T14:45:15.386280Z",
"structure_string": "K2 Sb2 P2 C2 O14\n1.0\n6.654382 0.000000 0.000000\n0.000000 5.795271 0.000000\n0.000000 0.235799 10.137556\nK Sb P C O\n2 2 2 2 14\ndirect\n0.435098 0.235962 0.789244 K\n0.935098 0.764038 0.210756 K\n0.774367 0.784549 0.639132 Sb\n0.274367 0.215451 0.360868 Sb\n0.269013 0.725328 0.558378 P\n0.769013 0.274672 0.441622 P\n0.734171 0.717533 0.888358 C\n0.234171 0.282467 0.111642 C\n0.208457 0.308187 0.992138 O\n0.751518 0.925227 0.825543 O\n0.746513 0.544340 0.802090 O\n0.091289 0.798406 0.649925 O\n0.454030 0.804643 0.640617 O\n0.759826 0.147696 0.578126 O\n0.273567 0.461877 0.539951 O\n0.773567 0.538123 0.460049 O\n0.259826 0.852304 0.421874 O\n0.954030 0.195357 0.359383 O\n0.591289 0.201594 0.350075 O\n0.246513 0.455660 0.197910 O\n0.251518 0.074773 0.174457 O\n0.708457 0.691813 0.007862 O\n",
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"elements": [
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],
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"density": 2.6830545522069635,
"density_atomic": 0.056274019523639286,
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"formula_full": "K2 Sb2 P2 C2 O14",
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"spacegroup": 4
},
{
"id": "mp-1211927",
"created_at": "2022-09-04T14:45:19.736858Z",
"structure_string": "K4 U4 H4 Se4 O28\n1.0\n8.172156 0.000000 0.000000\n0.000000 8.474589 0.000000\n0.000000 4.080434 11.455085\nK U H Se O\n4 4 4 4 28\ndirect\n0.963643 0.943861 0.778173 K\n0.036357 0.056139 0.221827 K\n0.463643 0.056139 0.721827 K\n0.536357 0.943861 0.278173 K\n0.076095 0.454103 0.770631 U\n0.923905 0.545897 0.229369 U\n0.576095 0.545897 0.729369 U\n0.423905 0.454103 0.270631 U\n0.770881 0.706822 0.526501 H\n0.229119 0.293178 0.473499 H\n0.270881 0.293178 0.973499 H\n0.729119 0.706822 0.026501 H\n0.254894 0.824142 0.537973 Se\n0.745106 0.175858 0.462027 Se\n0.754894 0.175858 0.962027 Se\n0.245106 0.824142 0.037973 Se\n0.338079 0.506741 0.794746 O\n0.661921 0.493259 0.205254 O\n0.838079 0.493259 0.705254 O\n0.161921 0.506741 0.294746 O\n0.451554 0.757903 0.572393 O\n0.548446 0.242097 0.427607 O\n0.951554 0.242097 0.927607 O\n0.048446 0.757903 0.072393 O\n0.209250 0.962548 0.602310 O\n0.790750 0.037452 0.397690 O\n0.709250 0.037452 0.897690 O\n0.290750 0.962548 0.102310 O\n0.033812 0.608124 0.842720 O\n0.966188 0.391876 0.157280 O\n0.533812 0.391876 0.657280 O\n0.466188 0.608124 0.342720 O\n0.130489 0.654426 0.593022 O\n0.869511 0.345574 0.406978 O\n0.630489 0.345574 0.906978 O\n0.369511 0.654426 0.093022 O\n0.261460 0.895079 0.895140 O\n0.738540 0.104921 0.104860 O\n0.761460 0.104921 0.604860 O\n0.238540 0.895079 0.395140 O\n0.141973 0.282914 0.719274 O\n0.858027 0.717086 0.280726 O\n0.641973 0.717086 0.780726 O\n0.358027 0.282914 0.219274 O\n",
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"formula_full": "K4 U4 H4 Se4 O28",
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{
"id": "mp-771890",
"created_at": "2022-09-04T14:42:25.568311Z",
"structure_string": "Li2 Sn2 As2 C2 O14\n1.0\n6.745297 0.000000 0.000000\n0.000000 5.255799 0.000000\n0.000000 0.595826 9.187255\nLi Sn As C O\n2 2 2 2 14\ndirect\n0.496686 0.767580 0.819539 Li\n0.996686 0.232420 0.180461 Li\n0.246079 0.211189 0.666831 Sn\n0.746079 0.788811 0.333169 Sn\n0.750385 0.274428 0.574081 As\n0.250385 0.725572 0.425919 As\n0.256293 0.277423 0.937650 C\n0.756293 0.722577 0.062350 C\n0.725989 0.684440 0.932873 O\n0.258309 0.047303 0.882900 O\n0.282627 0.467760 0.833104 O\n0.943798 0.198304 0.687467 O\n0.553224 0.160821 0.674788 O\n0.258884 0.844511 0.595486 O\n0.729878 0.601817 0.537059 O\n0.229878 0.398183 0.462941 O\n0.758884 0.155489 0.404514 O\n0.053224 0.839179 0.325212 O\n0.443798 0.801696 0.312533 O\n0.782627 0.532240 0.166896 O\n0.758309 0.952697 0.117100 O\n0.225989 0.315560 0.067127 O\n",
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{
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.231935 0.000000 0.000000\n0.000000 9.204082 0.000000\n0.000000 0.481639 10.489264\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.461557 0.237682 0.621457 Na\n0.038443 0.237682 0.121457 Na\n0.961557 0.762318 0.878543 Na\n0.538443 0.762318 0.378543 Na\n0.746049 0.344522 0.891640 Mn\n0.753951 0.344522 0.391640 Mn\n0.246049 0.655478 0.608360 Mn\n0.253951 0.655478 0.108360 Mn\n0.248498 0.435076 0.861675 P\n0.251502 0.435076 0.361675 P\n0.748498 0.564924 0.638325 P\n0.751502 0.564924 0.138325 P\n0.746256 0.084547 0.863897 C\n0.753744 0.084547 0.363897 C\n0.246256 0.915453 0.636103 C\n0.253744 0.915453 0.136103 C\n0.242573 0.047153 0.652306 O\n0.257427 0.047153 0.152306 O\n0.755467 0.145608 0.974899 O\n0.744533 0.145608 0.474899 O\n0.740395 0.186685 0.770134 O\n0.759605 0.186685 0.270134 O\n0.055322 0.334837 0.898104 O\n0.440958 0.332914 0.891323 O\n0.059042 0.332914 0.391323 O\n0.444678 0.334837 0.398104 O\n0.248766 0.477451 0.716613 O\n0.747008 0.426113 0.562732 O\n0.251234 0.477451 0.216613 O\n0.752992 0.426113 0.062732 O\n0.247008 0.573887 0.937268 O\n0.748766 0.522549 0.783387 O\n0.252992 0.573887 0.437268 O\n0.751234 0.522549 0.283387 O\n0.555322 0.665163 0.601896 O\n0.940958 0.667086 0.608677 O\n0.559042 0.667086 0.108677 O\n0.944678 0.665163 0.101896 O\n0.240395 0.813315 0.729866 O\n0.259605 0.813315 0.229866 O\n0.255467 0.854392 0.525101 O\n0.244533 0.854392 0.025101 O\n0.742573 0.952847 0.847694 O\n0.757427 0.952847 0.347694 O\n",
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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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{
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{
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"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n6.030129 0.000000 0.000000\n0.000000 4.968681 0.000000\n0.000000 0.694334 8.409003\nLi Si P C O\n2 2 2 2 14\ndirect\n0.478234 0.768098 0.805464 Li\n0.978234 0.231902 0.194536 Li\n0.248102 0.211335 0.666079 Si\n0.748102 0.788665 0.333921 Si\n0.754262 0.263950 0.567139 P\n0.254262 0.736050 0.432861 P\n0.251544 0.273373 0.931057 C\n0.751544 0.726627 0.068943 C\n0.734665 0.686731 0.927223 O\n0.253141 0.036324 0.866867 O\n0.263510 0.465163 0.808973 O\n0.956779 0.202903 0.672790 O\n0.551918 0.192142 0.672822 O\n0.258380 0.900404 0.580768 O\n0.751613 0.568902 0.507114 O\n0.251613 0.431098 0.492886 O\n0.758380 0.099596 0.419232 O\n0.051918 0.807858 0.327178 O\n0.456779 0.797097 0.327210 O\n0.763510 0.534837 0.191027 O\n0.753141 0.963676 0.133133 O\n0.234665 0.313269 0.072777 O\n",
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]
}