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{
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{
"id": "mp-768152",
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"structure_string": "Na2 Zr2 P2 C2 O14\n1.0\n6.683711 0.000000 0.000000\n0.000000 5.793755 0.000000\n0.000000 0.392983 9.345002\nNa Zr P C O\n2 2 2 2 14\ndirect\n0.484149 0.770300 0.812929 Na\n0.984149 0.229700 0.187071 Na\n0.235041 0.209622 0.652989 Zr\n0.735041 0.790378 0.347011 Zr\n0.740782 0.270692 0.549898 P\n0.240782 0.729308 0.450102 P\n0.269828 0.278385 0.925100 C\n0.769828 0.721615 0.074900 C\n0.759191 0.686370 0.946459 O\n0.262727 0.069423 0.868038 O\n0.281965 0.444600 0.820541 O\n0.925504 0.216661 0.645023 O\n0.552188 0.192971 0.632467 O\n0.258434 0.863111 0.590362 O\n0.732341 0.533334 0.510504 O\n0.232341 0.466666 0.489496 O\n0.758434 0.136889 0.409638 O\n0.052188 0.807029 0.367533 O\n0.425504 0.783339 0.354977 O\n0.781965 0.555400 0.179459 O\n0.762727 0.930577 0.131962 O\n0.259191 0.313630 0.053541 O\n",
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{
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.279737 5.228877 0.000000\n-6.279737 5.228877 0.000000\n0.000000 4.882179 9.040349\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.269334 0.981197 0.753561 Na\n0.981197 0.269334 0.753561 Na\n0.509962 0.757782 0.234102 Na\n0.757782 0.509962 0.234102 Na\n0.935726 0.935726 0.651257 Mn\n0.441113 0.441113 0.666470 Mn\n0.561929 0.061289 0.342827 Mn\n0.061289 0.561929 0.342827 Mn\n0.201229 0.698573 0.568888 P\n0.698573 0.201229 0.568888 P\n0.305498 0.305498 0.430202 P\n0.796541 0.796541 0.432698 P\n0.781569 0.781569 0.917272 C\n0.272202 0.272202 0.932761 C\n0.719290 0.220670 0.076986 C\n0.220670 0.719290 0.076986 C\n0.306344 0.797742 0.942899 O\n0.797742 0.306344 0.942899 O\n0.414778 0.414778 0.870853 O\n0.925286 0.925286 0.852413 O\n0.735776 0.735776 0.818690 O\n0.230877 0.230877 0.826720 O\n0.268553 0.576576 0.675306 O\n0.094973 0.788850 0.664571 O\n0.788850 0.094973 0.664571 O\n0.576576 0.268553 0.675306 O\n0.157687 0.157687 0.574296 O\n0.575591 0.073968 0.526818 O\n0.073968 0.575591 0.526818 O\n0.651543 0.651543 0.575818 O\n0.353209 0.840814 0.426856 O\n0.431957 0.431957 0.470905 O\n0.922651 0.922651 0.472129 O\n0.840814 0.353209 0.426856 O\n0.226936 0.421680 0.330204 O\n0.421680 0.226936 0.330204 O\n0.713972 0.905776 0.330438 O\n0.905776 0.713972 0.330438 O\n0.764391 0.263143 0.178909 O\n0.263143 0.764391 0.178909 O\n0.578609 0.075102 0.141614 O\n0.075102 0.578609 0.141614 O\n0.701516 0.701516 0.053608 O\n0.187790 0.187790 0.065957 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"energy": -334.11874801,
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"updated_at": "2021-11-28T01:35:17.656000Z",
"spacegroup": 8
},
{
"id": "mp-770369",
"created_at": "2022-09-04T14:41:11.182336Z",
"structure_string": "Li2 Ni2 C2 S2 O14\n1.0\n6.479164 0.000000 0.000000\n0.000000 5.011235 0.000000\n0.000000 0.574944 8.593053\nLi Ni C S O\n2 2 2 2 14\ndirect\n0.496276 0.779628 0.777706 Li\n0.996276 0.220372 0.222294 Li\n0.246763 0.212691 0.650250 Ni\n0.746763 0.787309 0.349750 Ni\n0.253255 0.272957 0.930364 C\n0.753255 0.727043 0.069636 C\n0.752142 0.272956 0.580918 S\n0.252142 0.727044 0.419082 S\n0.723652 0.697281 0.928496 O\n0.259203 0.040633 0.872739 O\n0.274541 0.470976 0.826597 O\n0.934296 0.211324 0.676918 O\n0.569240 0.166853 0.668238 O\n0.265913 0.843568 0.573546 O\n0.726870 0.569392 0.551119 O\n0.226870 0.430608 0.448881 O\n0.765913 0.156432 0.426454 O\n0.069240 0.833147 0.331762 O\n0.434296 0.788676 0.323082 O\n0.774541 0.529024 0.173403 O\n0.759203 0.959367 0.127261 O\n0.223652 0.302719 0.071504 O\n",
"nsites": 22,
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"elements": [
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"density": 2.6390347634870315,
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},
{
"id": "mp-770900",
"created_at": "2022-09-04T14:40:52.932118Z",
"structure_string": "Na2 Mn2 As2 C2 O14\n1.0\n6.439603 0.000000 0.000000\n0.000000 5.398543 0.000000\n0.000000 0.475171 9.275369\nNa Mn As C O\n2 2 2 2 14\ndirect\n0.519499 0.765139 0.774694 Na\n0.019499 0.234861 0.225306 Na\n0.241896 0.212374 0.662303 Mn\n0.741896 0.787626 0.337697 Mn\n0.747818 0.280479 0.564282 As\n0.247818 0.719521 0.435718 As\n0.253775 0.275757 0.918813 C\n0.753775 0.724243 0.081187 C\n0.751644 0.691211 0.951228 O\n0.251468 0.057237 0.860860 O\n0.256417 0.455951 0.815821 O\n0.946902 0.208130 0.681750 O\n0.544108 0.197853 0.676332 O\n0.256055 0.873004 0.591673 O\n0.732567 0.596010 0.521800 O\n0.232567 0.403990 0.478200 O\n0.756055 0.126996 0.408327 O\n0.044108 0.802147 0.323668 O\n0.446902 0.791870 0.318250 O\n0.756417 0.544049 0.184179 O\n0.751468 0.942763 0.139140 O\n0.251644 0.308789 0.048772 O\n",
"nsites": 22,
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{
"id": "mp-1205215",
"created_at": "2022-09-04T14:43:24.051132Z",
"structure_string": "K8 U8 H8 S8 O56\n1.0\n8.549047 0.000000 0.000000\n0.000000 11.193409 0.000000\n0.000000 0.000000 13.725408\nK U H S O\n8 8 8 8 56\ndirect\n0.762028 0.485791 0.811363 K\n0.262028 0.014209 0.188637 K\n0.237972 0.985791 0.688637 K\n0.737972 0.514209 0.311363 K\n0.237972 0.514209 0.188637 K\n0.737972 0.985791 0.811363 K\n0.762028 0.014209 0.311363 K\n0.262028 0.485791 0.688637 K\n0.598719 0.742104 0.046141 U\n0.098719 0.757896 0.953859 U\n0.401281 0.242104 0.453859 U\n0.901281 0.257896 0.546141 U\n0.401281 0.257896 0.953859 U\n0.901281 0.242104 0.046141 U\n0.598719 0.757896 0.546141 U\n0.098719 0.742104 0.453859 U\n0.344201 0.592771 0.990414 H\n0.844201 0.907229 0.009586 H\n0.655799 0.092771 0.509586 H\n0.155799 0.407229 0.490414 H\n0.655799 0.407229 0.009586 H\n0.155799 0.092771 0.990414 H\n0.344201 0.907229 0.490414 H\n0.844201 0.592771 0.509586 H\n0.454399 0.743928 0.798373 S\n0.954399 0.756072 0.201627 S\n0.545601 0.243928 0.701627 S\n0.045601 0.256072 0.298373 S\n0.545601 0.256072 0.201627 S\n0.045601 0.243928 0.798373 S\n0.454399 0.756072 0.298373 S\n0.954399 0.743928 0.701627 S\n0.340113 0.677207 0.010950 O\n0.840113 0.822793 0.989050 O\n0.659887 0.177207 0.489050 O\n0.159887 0.322793 0.510950 O\n0.659887 0.322793 0.989050 O\n0.159887 0.177207 0.010950 O\n0.340113 0.822793 0.510950 O\n0.840113 0.677207 0.489050 O\n0.657604 0.591108 0.011851 O\n0.157604 0.908892 0.988148 O\n0.342396 0.091108 0.488148 O\n0.842396 0.408892 0.511852 O\n0.342396 0.408892 0.988148 O\n0.842396 0.091108 0.011851 O\n0.657604 0.908892 0.511852 O\n0.157604 0.591108 0.488148 O\n0.556825 0.796139 0.876592 O\n0.056825 0.703861 0.123408 O\n0.443175 0.296139 0.623408 O\n0.943175 0.203861 0.376592 O\n0.443175 0.203861 0.123408 O\n0.943175 0.296139 0.876592 O\n0.556825 0.703861 0.376592 O\n0.056825 0.796139 0.623408 O\n0.486077 0.812247 0.706154 O\n0.986077 0.687753 0.293846 O\n0.513923 0.312247 0.793846 O\n0.013923 0.187753 0.206154 O\n0.513923 0.187753 0.293846 O\n0.013923 0.312247 0.706154 O\n0.486077 0.687753 0.206154 O\n0.986077 0.812247 0.793846 O\n0.286854 0.768956 0.822198 O\n0.786854 0.731044 0.177802 O\n0.713146 0.268956 0.677802 O\n0.213146 0.231044 0.322198 O\n0.713146 0.231044 0.177802 O\n0.213146 0.268956 0.822198 O\n0.286854 0.731044 0.322198 O\n0.786854 0.768956 0.677802 O\n0.538804 0.892066 0.075844 O\n0.038804 0.607934 0.924156 O\n0.461196 0.392066 0.424156 O\n0.961196 0.107934 0.575844 O\n0.461196 0.107934 0.924156 O\n0.961196 0.392066 0.075844 O\n0.538804 0.607934 0.575844 O\n0.038804 0.892066 0.424156 O\n0.482871 0.615869 0.788433 O\n0.982871 0.884131 0.211567 O\n0.517129 0.115869 0.711567 O\n0.017129 0.384131 0.288433 O\n0.517129 0.384131 0.211567 O\n0.017129 0.115869 0.788433 O\n0.482871 0.884131 0.288433 O\n0.982871 0.615869 0.711567 O\n",
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{
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"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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}