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{
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"results": [
{
"id": "mp-756169",
"created_at": "2022-09-04T14:41:50.839020Z",
"structure_string": "Li3 Cu1 Ni4 O8\n1.0\n0.017301 3.058682 -4.967318\n1.694870 -2.546224 -4.967318\n-5.077635 1.533749 -2.464953\nLi Cu Ni O\n3 1 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.466875 0.254300 0.787426 O\n0.985456 0.270860 0.771461 O\n0.499399 0.756917 0.771461 O\n0.004626 0.749536 0.744910 O\n0.995374 0.250464 0.255090 O\n0.500601 0.243083 0.228539 O\n0.014544 0.729140 0.228539 O\n0.533125 0.745700 0.212574 O\n",
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},
{
"id": "mp-1105542",
"created_at": "2022-09-04T14:42:41.113487Z",
"structure_string": "Na1 Fe1 H8 N2 F6\n1.0\n0.000000 4.301363 4.301363\n4.301363 0.000000 4.301363\n4.301363 4.301363 0.000000\nNa Fe H N F\n1 1 8 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.819130 0.819130 0.819130 H\n0.542611 0.819130 0.819130 H\n0.819130 0.542611 0.819130 H\n0.819130 0.819130 0.542611 H\n0.180870 0.180870 0.180870 H\n0.457389 0.180870 0.180870 H\n0.180870 0.457389 0.180870 H\n0.180870 0.180870 0.457389 H\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.779310 0.220690 0.220690 F\n0.779310 0.779310 0.220690 F\n0.220690 0.779310 0.220690 F\n0.220690 0.220690 0.779310 F\n0.779310 0.220690 0.779310 F\n0.220690 0.779310 0.779310 F\n",
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"elements": [
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"formula_full": "Na1 Fe1 H8 N2 F6",
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"spacegroup": 225
},
{
"id": "mp-1176288",
"created_at": "2022-09-04T14:41:29.940157Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n11.335053 0.000000 0.000000\n0.000000 5.183895 0.000000\n0.000000 1.993606 4.815584\nLi Mn Co O\n9 2 5 16\ndirect\n0.124741 0.500000 0.000000 Li\n0.247162 0.500000 0.500000 Li\n0.375168 0.500000 0.000000 Li\n0.503448 0.500000 0.500000 Li\n0.625398 0.500000 0.000000 Li\n0.752972 0.500000 0.500000 Li\n0.873041 0.500000 0.000000 Li\n0.996286 0.500000 0.500000 Li\n0.874500 0.000000 0.500000 Li\n0.999312 0.000000 0.000000 Mn\n0.375079 0.000000 0.500000 Mn\n0.123449 0.000000 0.500000 Co\n0.249567 0.000000 0.000000 Co\n0.502181 0.000000 0.000000 Co\n0.627960 0.000000 0.500000 Co\n0.749897 0.000000 0.000000 Co\n0.124359 0.232939 0.771022 O\n0.248422 0.228850 0.268711 O\n0.375685 0.230228 0.780595 O\n0.502690 0.228750 0.270734 O\n0.627108 0.230694 0.777441 O\n0.742791 0.205117 0.239737 O\n0.873428 0.236846 0.782313 O\n0.005437 0.211212 0.243147 O\n0.124359 0.767061 0.228978 O\n0.248422 0.771150 0.731289 O\n0.375685 0.769772 0.219405 O\n0.502690 0.771250 0.729266 O\n0.627108 0.769306 0.222559 O\n0.742791 0.794883 0.760263 O\n0.873428 0.763154 0.217687 O\n0.005437 0.788788 0.756853 O\n",
"nsites": 32,
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"elements": [
"Li",
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"Co",
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],
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"density_atomic": 0.11308923443008312,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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"spacegroup": 3
},
{
"id": "mp-1198550",
"created_at": "2022-09-04T14:48:12.597433Z",
"structure_string": "Co4 H44 C2 N16 O24\n1.0\n7.477494 -0.003924 -2.591090\n-1.172061 9.599681 -2.459747\n0.021989 0.073588 11.058168\nCo H C N O\n4 44 2 16 24\ndirect\n0.238001 0.854265 0.139166 Co\n0.761999 0.145735 0.860834 Co\n0.178443 0.780896 0.355142 Co\n0.821557 0.219104 0.644858 Co\n0.010306 0.668265 0.118654 H\n0.989694 0.331735 0.881346 H\n0.298710 0.006907 0.358516 H\n0.701290 0.993093 0.641484 H\n0.482744 0.697129 0.191331 H\n0.517256 0.302871 0.808669 H\n0.432088 0.700813 0.036514 H\n0.567912 0.299187 0.963486 H\n0.567085 0.831574 0.155570 H\n0.432915 0.168426 0.844430 H\n0.201996 0.762614 0.891955 H\n0.798004 0.237386 0.108045 H\n0.025363 0.703993 0.924753 H\n0.974637 0.296007 0.075247 H\n0.050786 0.866733 0.917580 H\n0.949214 0.133267 0.082420 H\n0.480977 0.028177 0.144352 H\n0.519023 0.971823 0.855648 H\n0.292207 0.032240 0.023481 H\n0.707793 0.967760 0.976519 H\n0.318484 0.109047 0.181961 H\n0.681516 0.890953 0.818039 H\n0.371325 0.586150 0.342695 H\n0.628675 0.413850 0.657305 H\n0.500918 0.731843 0.438997 H\n0.499082 0.268157 0.561003 H\n0.379011 0.642926 0.497232 H\n0.620989 0.357074 0.502768 H\n0.890323 0.641697 0.302146 H\n0.109677 0.358303 0.697854 H\n0.047958 0.540164 0.349522 H\n0.952042 0.459836 0.650478 H\n0.999425 0.660311 0.461161 H\n0.000575 0.339689 0.538839 H\n0.141168 0.956219 0.545994 H\n0.858832 0.043781 0.454006 H\n0.233091 0.827610 0.604014 H\n0.766909 0.172390 0.395986 H\n0.356603 0.943130 0.572577 H\n0.643397 0.056870 0.427423 H\n0.680911 0.578083 0.947569 H\n0.319089 0.421917 0.052431 H\n0.824650 0.482431 0.923158 H\n0.175350 0.517569 0.076842 H\n0.916497 0.927874 0.200636 C\n0.083503 0.072126 0.799364 C\n0.452895 0.762211 0.130302 N\n0.547105 0.237789 0.869698 N\n0.119282 0.787608 0.947221 N\n0.880718 0.212392 0.052779 N\n0.343878 0.023332 0.119835 N\n0.656122 0.976668 0.880165 N\n0.378446 0.674700 0.414786 N\n0.621554 0.325300 0.585214 N\n0.014465 0.639834 0.369165 N\n0.985535 0.360166 0.630835 N\n0.232268 0.886318 0.539177 N\n0.767732 0.113682 0.460823 N\n0.376653 0.599135 0.743640 N\n0.623347 0.400865 0.256360 N\n0.817260 0.734284 0.626288 N\n0.182740 0.265716 0.373712 N\n0.140828 0.688675 0.170730 O\n0.859172 0.311325 0.829270 O\n0.339576 0.915401 0.330721 O\n0.660424 0.084599 0.669279 O\n0.024832 0.946242 0.136067 O\n0.975168 0.053758 0.863933 O\n0.967430 0.876607 0.303381 O\n0.032570 0.123393 0.696619 O\n0.757777 0.963170 0.161540 O\n0.242223 0.036830 0.838460 O\n0.364057 0.727777 0.781270 O\n0.635943 0.272223 0.218730 O\n0.424367 0.529295 0.830460 O\n0.575633 0.470705 0.169540 O\n0.341414 0.539134 0.622789 O\n0.658586 0.460866 0.377211 O\n0.953214 0.670705 0.623494 O\n0.046786 0.329295 0.376506 O\n0.771529 0.821410 0.556895 O\n0.228471 0.178590 0.443105 O\n0.728235 0.711418 0.697052 O\n0.271765 0.288582 0.302948 O\n0.811055 0.572333 0.979263 O\n0.188945 0.427667 0.020737 O\n",
"nsites": 90,
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"elements": [
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"H",
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"N",
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],
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"volume": 795.8457835172848,
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"formula_full": "Co4 H44 C2 N16 O24",
"formula_reduced": "Co2H22C(N2O3)4",
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"energy": -526.93910333,
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"spacegroup": 2
},
{
"id": "mp-1175688",
"created_at": "2022-09-04T14:39:31.086173Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.905939 0.000000 0.000000\n-0.373416 5.904697 0.000000\n-0.109828 -0.121469 8.114396\nLi Mn Co O\n9 2 5 16\ndirect\n0.499848 0.001405 0.005077 Li\n0.246808 0.742122 0.755024 Li\n0.753905 0.740124 0.247803 Li\n0.497777 0.497857 0.003875 Li\n0.000332 0.500358 0.495798 Li\n0.753339 0.261070 0.245990 Li\n0.245516 0.258780 0.752140 Li\n0.004126 0.001131 0.495856 Li\n0.999820 0.502337 0.003595 Li\n0.002301 0.001541 0.001111 Mn\n0.752989 0.739494 0.750298 Mn\n0.499081 0.497520 0.499670 Co\n0.242534 0.262054 0.248144 Co\n0.753249 0.244814 0.750446 Co\n0.502011 0.995960 0.498195 Co\n0.246077 0.753044 0.249274 Co\n0.242679 0.239465 0.008648 O\n0.998718 0.976731 0.760295 O\n0.481072 0.993365 0.263301 O\n0.227476 0.776637 0.014272 O\n0.739402 0.732707 0.510782 O\n0.491637 0.486121 0.262064 O\n0.963870 0.505054 0.748301 O\n0.735883 0.235681 0.514727 O\n0.756972 0.762519 0.986500 O\n0.504328 0.511564 0.742057 O\n0.020695 0.516163 0.251096 O\n0.772671 0.229563 0.981709 O\n0.263579 0.262901 0.491807 O\n0.999853 0.025679 0.236524 O\n0.534918 0.984257 0.737519 O\n0.266535 0.761982 0.488100 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1175684",
"created_at": "2022-09-04T14:43:18.572195Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.865493 0.000000 0.000000\n0.000000 4.996640 0.000000\n0.000000 1.796754 9.656014\nLi Mn Co O\n9 2 5 16\ndirect\n0.002617 0.755808 0.253121 Li\n0.255200 0.754608 0.747663 Li\n0.497826 0.755329 0.254342 Li\n0.255200 0.245392 0.252337 Li\n0.497826 0.244671 0.745658 Li\n0.741826 0.245430 0.251814 Li\n0.741826 0.754570 0.748186 Li\n0.002617 0.244192 0.746879 Li\n0.496195 0.000000 0.500000 Li\n0.006581 0.000000 0.500000 Mn\n0.739222 0.500000 0.500000 Mn\n0.250316 0.000000 0.000000 Co\n0.749685 0.000000 0.000000 Co\n0.499911 0.500000 0.000000 Co\n0.000502 0.500000 0.000000 Co\n0.252229 0.500000 0.500000 Co\n0.766196 0.862501 0.389895 O\n0.002184 0.860525 0.885062 O\n0.234620 0.865768 0.389771 O\n0.999380 0.367483 0.391953 O\n0.253530 0.364835 0.885381 O\n0.501129 0.398628 0.389469 O\n0.500302 0.866440 0.881722 O\n0.750764 0.361141 0.884075 O\n0.253530 0.635165 0.114619 O\n0.501129 0.601372 0.610531 O\n0.750764 0.638859 0.115925 O\n0.500302 0.133560 0.118278 O\n0.766196 0.137499 0.610105 O\n0.002184 0.139475 0.114938 O\n0.999380 0.632517 0.608047 O\n0.234620 0.134232 0.610229 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 3
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{
"id": "mp-1174906",
"created_at": "2022-09-04T14:41:17.913720Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.341927 2.529926 0.000000\n-4.341927 2.529926 0.000000\n0.000000 1.642197 9.661185\nLi Mn Co O\n7 2 3 12\ndirect\n0.755791 0.757104 0.746514 Li\n0.583324 0.922396 0.253219 Li\n0.242896 0.244209 0.253486 Li\n0.077604 0.416676 0.746781 Li\n0.921321 0.580088 0.252905 Li\n0.419912 0.078679 0.747095 Li\n0.832583 0.167417 0.500000 Li\n0.000011 0.999989 0.000000 Mn\n0.500392 0.499608 0.500000 Mn\n0.664947 0.335053 0.000000 Co\n0.337729 0.662271 0.000000 Co\n0.165068 0.834932 0.500000 Co\n0.640853 0.654980 0.115662 O\n0.433119 0.769969 0.610220 O\n0.156325 0.124334 0.608728 O\n0.967733 0.279704 0.117656 O\n0.796931 0.488876 0.611889 O\n0.273677 0.952355 0.114317 O\n0.875666 0.843675 0.391272 O\n0.720296 0.032267 0.882344 O\n0.345020 0.359147 0.884338 O\n0.230031 0.566881 0.389780 O\n0.047645 0.726323 0.885683 O\n0.511124 0.203069 0.388111 O\n",
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{
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{
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{
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{
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}