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{
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"results": [
{
"id": "mp-1189013",
"created_at": "2022-09-04T14:41:18.070227Z",
"structure_string": "K2 Pt1 N4 O10\n1.0\n6.669496 0.320742 -1.476225\n-1.517534 6.077835 -3.339318\n0.000743 -0.110515 7.284490\nK Pt N O\n2 1 4 10\ndirect\n0.887470 0.821599 0.159588 K\n0.112530 0.178401 0.840412 K\n0.500000 0.500000 0.500000 Pt\n0.315032 0.200001 0.376468 N\n0.684968 0.799999 0.623532 N\n0.754802 0.371735 0.542825 N\n0.245198 0.628265 0.457175 N\n0.225028 0.090245 0.175953 O\n0.774972 0.909755 0.824047 O\n0.286310 0.129978 0.498003 O\n0.713690 0.870022 0.501997 O\n0.803784 0.238165 0.379933 O\n0.196216 0.761835 0.620067 O\n0.859076 0.430056 0.732540 O\n0.140924 0.569944 0.267460 O\n0.548246 0.456715 0.047959 O\n0.451754 0.543285 0.952041 O\n",
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"formula_full": "K2 Pt1 N4 O10",
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{
"id": "mp-758847",
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"structure_string": "Li12 Fe4 P8 O32\n1.0\n8.742331 0.000000 0.000000\n3.471284 8.032631 0.000000\n0.425666 0.196181 9.190980\nLi Fe P O\n12 4 8 32\ndirect\n0.648179 0.866064 0.784115 Li\n0.877867 0.635409 0.291371 Li\n0.956036 0.154906 0.451441 Li\n0.931209 0.104642 0.768973 Li\n0.418075 0.579191 0.760319 Li\n0.564269 0.436659 0.246834 Li\n0.104216 0.895059 0.234884 Li\n0.040050 0.842309 0.537627 Li\n0.863366 0.044895 0.034407 Li\n0.121431 0.397119 0.667235 Li\n0.368186 0.139737 0.235051 Li\n0.290263 0.110888 0.891139 Li\n0.752636 0.500310 0.911913 Fe\n0.493819 0.762489 0.409672 Fe\n0.507426 0.233434 0.594950 Fe\n0.234667 0.504889 0.091669 Fe\n0.986718 0.711399 0.929045 P\n0.710802 0.983138 0.432107 P\n0.756104 0.426234 0.570641 P\n0.417660 0.767703 0.072021 P\n0.571322 0.239609 0.926765 P\n0.237928 0.568997 0.429895 P\n0.283807 0.009835 0.576011 P\n0.015063 0.277509 0.077663 P\n0.965903 0.887547 0.880923 O\n0.886561 0.974196 0.389219 O\n0.846586 0.670352 0.860563 O\n0.686077 0.833248 0.368994 O\n0.943217 0.377095 0.547527 O\n0.365684 0.954310 0.054528 O\n0.044521 0.262442 0.908858 O\n0.314207 0.018827 0.407398 O\n0.422391 0.838915 0.623422 O\n0.845738 0.433678 0.105558 O\n0.521735 0.668124 0.936953 O\n0.653955 0.527695 0.438693 O\n0.679902 0.526291 0.709333 O\n0.528420 0.691395 0.205496 O\n0.731178 0.259133 0.581271 O\n0.260986 0.726718 0.093650 O\n0.742995 0.256899 0.915022 O\n0.267204 0.734028 0.417563 O\n0.468104 0.326212 0.792421 O\n0.316426 0.463920 0.294293 O\n0.331886 0.463679 0.563851 O\n0.474026 0.343359 0.061283 O\n0.160330 0.573377 0.880644 O\n0.569267 0.151748 0.381238 O\n0.679896 0.984860 0.602223 O\n0.982295 0.687228 0.099415 O\n0.599823 0.057100 0.938507 O\n0.050549 0.620761 0.453156 O\n0.309657 0.153402 0.655554 O\n0.160406 0.313837 0.140681 O\n0.106079 0.018931 0.611648 O\n0.000278 0.124084 0.153136 O\n",
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"elements": [
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"formula_full": "Li12 Fe4 P8 O32",
"formula_reduced": "Li3Fe(PO4)2",
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"energy": -398.03803975,
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"updated_at": "2021-11-28T01:36:44.595000Z",
"spacegroup": 1
},
{
"id": "mp-772727",
"created_at": "2022-09-04T14:45:07.126370Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.697223 0.000000 0.000000\n0.126564 8.630509 0.000000\n0.013917 0.432860 10.000311\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.498073 0.752623 0.374557 Na\n0.501927 0.247377 0.625443 Na\n0.764961 0.911618 0.126137 Li\n0.769274 0.913369 0.629015 Li\n0.970939 0.728483 0.385779 Li\n0.970332 0.730222 0.883099 Li\n0.526981 0.734391 0.881757 Li\n0.473019 0.265609 0.118243 Li\n0.029668 0.269778 0.116901 Li\n0.029061 0.271517 0.614221 Li\n0.230726 0.086631 0.370985 Li\n0.235039 0.088382 0.873863 Li\n0.246822 0.650195 0.109412 Mn\n0.245839 0.645089 0.614318 Mn\n0.754161 0.354911 0.385682 Mn\n0.753178 0.349805 0.890588 Mn\n0.752909 0.591951 0.141784 P\n0.753846 0.592498 0.645763 P\n0.246154 0.407502 0.354237 P\n0.247091 0.408049 0.858216 P\n0.248292 0.962651 0.135116 C\n0.239705 0.956808 0.639912 C\n0.760295 0.043192 0.360088 C\n0.751708 0.037349 0.864884 C\n0.778384 0.899648 0.326477 O\n0.747520 0.891946 0.834011 O\n0.246853 0.922078 0.012687 O\n0.250301 0.921366 0.515328 O\n0.244422 0.856902 0.232172 O\n0.246970 0.848510 0.734402 O\n0.930500 0.687487 0.083093 O\n0.564647 0.688527 0.096996 O\n0.927262 0.697818 0.593766 O\n0.560864 0.679202 0.599696 O\n0.768720 0.581979 0.297521 O\n0.228988 0.574477 0.405941 O\n0.758542 0.579354 0.802537 O\n0.251988 0.577356 0.905196 O\n0.748012 0.422644 0.094804 O\n0.241458 0.420646 0.197463 O\n0.771012 0.425523 0.594059 O\n0.231280 0.418021 0.702479 O\n0.439136 0.320798 0.400304 O\n0.072738 0.302182 0.406234 O\n0.435353 0.311473 0.903004 O\n0.069500 0.312513 0.916907 O\n0.753030 0.151490 0.265598 O\n0.755578 0.143098 0.767828 O\n0.749699 0.078634 0.484672 O\n0.753147 0.077922 0.987313 O\n0.252480 0.108054 0.165989 O\n0.221616 0.100352 0.673523 O\n",
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"elements": [
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"density": 2.7436981824682953,
"density_atomic": 0.08996191000055219,
"volume": 578.0224097029601,
"volume_molar": 6.694100603203107,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -380.46722948,
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"updated_at": "2021-11-28T01:36:45.381000Z",
"spacegroup": 2
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{
"id": "mp-26644",
"created_at": "2022-09-04T14:44:10.488470Z",
"structure_string": "Fe4 P8 O28\n1.0\n5.152702 0.000000 0.000000\n0.000000 8.745537 0.000000\n0.000000 5.899810 12.344917\nFe P O\n4 8 28\ndirect\n0.745717 0.767051 0.974758 Fe\n0.754283 0.767051 0.474758 Fe\n0.245717 0.232949 0.525242 Fe\n0.254283 0.232949 0.025242 Fe\n0.746137 0.186408 0.881246 P\n0.244556 0.665432 0.862924 P\n0.246137 0.813592 0.618754 P\n0.744556 0.334568 0.637076 P\n0.255444 0.665432 0.362924 P\n0.753863 0.186408 0.381246 P\n0.755444 0.334568 0.137076 P\n0.253863 0.813592 0.118754 P\n0.932531 0.252922 0.940071 O\n0.465164 0.190667 0.915961 O\n0.315296 0.481921 0.937239 O\n0.962067 0.709124 0.872673 O\n0.439197 0.783690 0.879382 O\n0.817270 0.012968 0.887618 O\n0.774719 0.322036 0.756848 O\n0.274719 0.677964 0.743152 O\n0.815296 0.518079 0.562761 O\n0.965164 0.809333 0.584039 O\n0.317270 0.987032 0.612382 O\n0.432531 0.747078 0.559929 O\n0.939197 0.216310 0.620618 O\n0.462067 0.290876 0.627327 O\n0.537933 0.709124 0.372673 O\n0.060803 0.783690 0.379382 O\n0.567469 0.252922 0.440071 O\n0.682730 0.012968 0.387618 O\n0.034836 0.190667 0.415961 O\n0.184704 0.481921 0.437239 O\n0.725281 0.322036 0.256848 O\n0.225281 0.677964 0.243152 O\n0.182730 0.987032 0.112382 O\n0.560803 0.216310 0.120618 O\n0.037933 0.290876 0.127327 O\n0.684704 0.518079 0.062761 O\n0.534836 0.809333 0.084039 O\n0.067469 0.747078 0.059929 O\n",
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"formula_full": "Fe4 P8 O28",
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{
"id": "mp-1026478",
"created_at": "2022-09-04T14:45:12.418071Z",
"structure_string": "Mg14 Cr1 Bi1\n1.0\n6.350794 0.000000 0.000000\n-3.175397 5.499948 -0.000000\n0.000000 0.000000 10.418265\nMg Cr Bi\n14 1 1\ndirect\n0.166069 0.833034 0.125000 Mg\n0.165153 0.832576 0.625000 Mg\n0.666966 0.333931 0.125000 Mg\n0.667424 0.334847 0.625000 Mg\n0.666966 0.833034 0.125000 Mg\n0.667424 0.832576 0.625000 Mg\n0.333106 0.166894 0.365338 Mg\n0.333106 0.166894 0.884662 Mg\n0.333106 0.666213 0.365338 Mg\n0.333106 0.666213 0.884662 Mg\n0.833787 0.166894 0.365338 Mg\n0.833787 0.166894 0.884662 Mg\n0.833333 0.666667 0.373754 Mg\n0.833333 0.666667 0.876246 Mg\n0.166667 0.333333 0.125000 Cr\n0.166667 0.333333 0.625000 Bi\n",
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{
"id": "mp-1022107",
"created_at": "2022-09-04T14:48:24.596133Z",
"structure_string": "Ba1 Mg6 Cu1\n1.0\n3.106796 -6.917837 0.000000\n3.106796 6.917837 0.000000\n0.000000 0.000000 4.881738\nBa Mg Cu\n1 6 1\ndirect\n0.286804 0.713196 0.500000 Ba\n0.199994 0.304338 0.000000 Mg\n0.695662 0.800006 0.000000 Mg\n0.693701 0.306299 0.000000 Mg\n0.323461 0.180444 0.500000 Mg\n0.819556 0.676539 0.500000 Mg\n0.871804 0.128196 0.500000 Mg\n0.109019 0.890981 0.000000 Cu\n",
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{
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"structure_string": "Co4 P4 O16\n1.0\n5.272133 0.000000 0.000000\n0.000000 8.565921 0.000000\n0.000000 2.352410 8.250594\nCo P O\n4 4 16\ndirect\n0.194023 0.867654 0.629299 Co\n0.305860 0.223382 0.128229 Co\n0.694140 0.723382 0.128229 Co\n0.805977 0.367654 0.629299 Co\n0.690535 0.993934 0.759971 P\n0.309465 0.493934 0.759971 P\n0.193442 0.845883 0.257526 P\n0.806558 0.345883 0.257526 P\n0.582552 0.509000 0.690222 O\n0.134113 0.436747 0.640628 O\n0.787423 0.514774 0.131350 O\n0.228775 0.661945 0.776676 O\n0.771225 0.161945 0.776676 O\n0.359064 0.724203 0.198232 O\n0.914855 0.786075 0.271456 O\n0.295087 0.370331 0.927325 O\n0.417448 0.009000 0.690222 O\n0.212577 0.014774 0.131350 O\n0.713249 0.356581 0.424882 O\n0.286751 0.856581 0.424882 O\n0.865887 0.936747 0.640628 O\n0.640936 0.224203 0.198232 O\n0.704913 0.870331 0.927325 O\n0.085145 0.286075 0.271456 O\n",
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{
"id": "mp-768722",
"created_at": "2022-09-04T14:47:12.674323Z",
"structure_string": "Li10 Fe4 P4 C4 O28\n1.0\n7.930769 0.000000 0.000000\n-1.913065 8.251965 0.000000\n-2.075849 -4.106013 8.441038\nLi Fe P C O\n10 4 4 4 28\ndirect\n0.957552 0.938550 0.777757 Li\n0.265210 0.718453 0.757730 Li\n0.238959 0.786130 0.260174 Li\n0.535749 0.550794 0.245502 Li\n0.165854 0.390046 0.889505 Li\n0.042448 0.061450 0.222243 Li\n0.834146 0.609954 0.110495 Li\n0.464251 0.449206 0.754498 Li\n0.761041 0.213870 0.739826 Li\n0.734790 0.281547 0.242270 Li\n0.801682 0.548801 0.657241 Fe\n0.304469 0.046052 0.653549 Fe\n0.695531 0.953948 0.346451 Fe\n0.198318 0.451199 0.342759 Fe\n0.939222 0.697668 0.422817 P\n0.562205 0.805146 0.582623 P\n0.060778 0.302332 0.577183 P\n0.437795 0.194854 0.417377 P\n0.987566 0.732713 0.955149 C\n0.503248 0.254835 0.939721 C\n0.496752 0.745165 0.060279 C\n0.012434 0.267287 0.044851 C\n0.052425 0.767930 0.851662 O\n0.395467 0.631925 0.918084 O\n0.063999 0.640989 0.324327 O\n0.053396 0.862280 0.586632 O\n0.837066 0.596431 0.901989 O\n0.455237 0.640160 0.422794 O\n0.424386 0.866268 0.667477 O\n0.346298 0.135896 0.902214 O\n0.946604 0.137720 0.413368 O\n0.936001 0.359011 0.675673 O\n0.704073 0.767717 0.690918 O\n0.202636 0.251302 0.679382 O\n0.065388 0.826184 0.106203 O\n0.827599 0.534923 0.439489 O\n0.449120 0.741781 0.182859 O\n0.334482 0.034065 0.448750 O\n0.947575 0.232070 0.148338 O\n0.665518 0.965935 0.551250 O\n0.550880 0.258219 0.817141 O\n0.172401 0.465077 0.560511 O\n0.934612 0.173816 0.893797 O\n0.797364 0.748698 0.320618 O\n0.295927 0.232283 0.309082 O\n0.653702 0.864104 0.097786 O\n0.575614 0.133732 0.332523 O\n0.544763 0.359840 0.577206 O\n0.162934 0.403569 0.098011 O\n0.604533 0.368075 0.081916 O\n",
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