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{
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"results": [
{
"id": "mp-1076206",
"created_at": "2022-09-04T14:39:06.457431Z",
"structure_string": "K16 Na16 Nb8 W24 O80\n1.0\n0.031995 0.018796 11.584984\n11.741869 0.051400 0.033047\n-5.818569 15.535045 -5.783990\nK Na Nb W O\n16 16 8 24 80\ndirect\n0.300889 0.064127 0.111358 K\n0.302379 0.559066 0.111077 K\n0.803027 0.059869 0.113311 K\n0.801575 0.556549 0.107985 K\n0.199288 0.937181 0.389372 K\n0.191480 0.929424 0.879386 K\n0.699157 0.441195 0.394762 K\n0.687774 0.420610 0.878506 K\n0.697231 0.934803 0.389940 K\n0.053430 0.298459 0.110105 K\n0.053622 0.793918 0.109453 K\n0.549232 0.295930 0.109906 K\n0.554018 0.796379 0.109473 K\n0.449559 0.709353 0.392177 K\n0.441741 0.705037 0.882767 K\n0.939842 0.702293 0.877262 K\n0.302239 0.073935 0.600853 Na\n0.304584 0.566298 0.601987 Na\n0.806205 0.059429 0.598644 Na\n0.812474 0.567406 0.604009 Na\n0.198774 0.443241 0.402019 Na\n0.200546 0.434083 0.899066 Na\n0.701329 0.936108 0.898372 Na\n0.052648 0.282682 0.596220 Na\n0.064564 0.789214 0.603216 Na\n0.558212 0.282702 0.601734 Na\n0.556693 0.785264 0.600872 Na\n0.447050 0.211476 0.403948 Na\n0.446790 0.217366 0.896435 Na\n0.946323 0.214526 0.401419 Na\n0.954485 0.213474 0.899708 Na\n0.947241 0.714064 0.402363 Na\n0.107828 0.095340 0.744085 Nb\n0.124653 0.573482 0.743574 Nb\n0.577019 0.068889 0.746738 Nb\n0.597862 0.581281 0.741874 Nb\n0.322619 0.414997 0.744734 Nb\n0.376171 0.921351 0.744855 Nb\n0.864726 0.397996 0.742332 Nb\n0.840785 0.921335 0.747227 Nb\n0.001033 0.999098 0.996390 W\n0.013301 0.003150 0.503716 W\n0.000224 0.495469 0.994829 W\n0.014310 0.504102 0.504485 W\n0.501167 0.997592 0.996011 W\n0.511391 0.005466 0.508349 W\n0.499709 0.498242 0.994251 W\n0.513825 0.502385 0.507077 W\n0.251806 0.248466 0.995102 W\n0.261359 0.256925 0.505791 W\n0.248408 0.745469 0.993452 W\n0.264574 0.752971 0.505859 W\n0.748489 0.242918 0.993563 W\n0.764171 0.251913 0.506090 W\n0.749725 0.745100 0.992798 W\n0.765121 0.755310 0.508400 W\n0.105012 0.106902 0.259161 W\n0.093288 0.611472 0.256858 W\n0.602511 0.100913 0.257468 W\n0.601567 0.605313 0.251979 W\n0.343349 0.400111 0.257677 W\n0.364066 0.895390 0.249644 W\n0.854242 0.401888 0.252234 W\n0.865239 0.893731 0.249618 W\n0.126629 0.126033 0.489412 O\n0.117189 0.119396 0.980957 O\n0.129685 0.621800 0.490071 O\n0.118250 0.612367 0.978953 O\n0.631287 0.128434 0.499455 O\n0.619958 0.113987 0.983495 O\n0.633614 0.625273 0.498901 O\n0.618946 0.615670 0.980917 O\n0.127101 0.373424 0.997911 O\n0.146812 0.389848 0.521262 O\n0.126734 0.874190 0.999622 O\n0.148511 0.888390 0.524111 O\n0.623377 0.369675 0.997468 O\n0.650518 0.388697 0.528228 O\n0.629518 0.875082 0.000275 O\n0.647630 0.888362 0.525390 O\n0.382492 0.128424 0.498404 O\n0.370501 0.117675 0.980452 O\n0.380004 0.617808 0.495211 O\n0.368196 0.616556 0.985098 O\n0.880903 0.120838 0.490240 O\n0.868277 0.114440 0.980757 O\n0.886539 0.626792 0.499807 O\n0.868979 0.614403 0.981768 O\n0.377216 0.376074 0.000007 O\n0.400827 0.388169 0.528229 O\n0.377114 0.876508 0.002281 O\n0.397867 0.888469 0.526158 O\n0.876136 0.369786 0.997822 O\n0.899335 0.385917 0.524058 O\n0.875336 0.875893 0.999942 O\n0.900274 0.889335 0.526782 O\n0.065506 0.079963 0.134219 O\n0.086578 0.118137 0.640782 O\n0.069040 0.569263 0.132526 O\n0.096678 0.610463 0.643471 O\n0.564494 0.077371 0.133735 O\n0.574441 0.097372 0.646069 O\n0.574675 0.579721 0.130562 O\n0.585685 0.615847 0.644111 O\n0.444584 0.396951 0.371332 O\n0.420996 0.414873 0.854278 O\n0.443224 0.927632 0.373011 O\n0.442552 0.911019 0.854155 O\n0.950286 0.400066 0.368570 O\n0.935780 0.395823 0.855018 O\n0.942733 0.902255 0.370326 O\n0.931180 0.914781 0.855659 O\n0.316340 0.304807 0.134837 O\n0.316084 0.291804 0.642459 O\n0.312973 0.798764 0.130836 O\n0.341576 0.785158 0.644058 O\n0.824057 0.297106 0.134256 O\n0.841274 0.267152 0.641571 O\n0.818424 0.795143 0.130836 O\n0.833885 0.792578 0.647329 O\n0.204306 0.225760 0.369180 O\n0.189954 0.209984 0.853401 O\n0.204888 0.709056 0.371831 O\n0.188060 0.693773 0.852376 O\n0.703437 0.211568 0.370257 O\n0.671488 0.182230 0.854191 O\n0.704591 0.702276 0.371493 O\n0.678929 0.699009 0.850546 O\n0.451606 0.072591 0.273242 O\n0.405383 0.093427 0.746970 O\n0.453757 0.531584 0.253980 O\n0.431540 0.541291 0.734063 O\n0.956818 0.066418 0.276902 O\n0.946869 0.051115 0.744275 O\n0.943359 0.564298 0.271525 O\n0.946491 0.533284 0.732614 O\n0.189867 0.449470 0.266613 O\n0.150551 0.402648 0.745444 O\n0.205388 0.964018 0.245830 O\n0.195391 0.956800 0.735020 O\n0.695985 0.452257 0.250925 O\n0.700250 0.450254 0.734704 O\n0.709444 0.962692 0.247040 O\n0.670895 0.922003 0.746202 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"K",
"Na",
"Nb",
"W",
"O"
],
"chemical_system": "K-Na-Nb-O-W",
"density": 5.824433667837679,
"density_atomic": 0.06799078574053675,
"volume": 2117.934046968159,
"volume_molar": 8.857289549471322,
"formula_full": "K16 Na16 Nb8 W24 O80",
"formula_reduced": "K2Na2NbW3O10",
"formula_anonymous": "AB2C2D3E10",
"energy": -1117.00727811,
"energy_per_atom": -7.756994986875,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -955.53527811,
"band_gap": 0.1203999999999996,
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"updated_at": "2021-11-28T01:34:24.465000Z",
"spacegroup": 1
},
{
"id": "mp-1349240",
"created_at": "2022-09-04T14:39:06.046774Z",
"structure_string": "Sr1 La9 Mg1 Ga9 O29\n1.0\n-5.557385 0.000000 0.000000\n2.779578 4.843774 0.000000\n-0.069573 -3.085289 -22.839976\nSr La Mg Ga O\n1 9 1 9 29\ndirect\n0.609866 0.940228 0.154084 Sr\n0.200912 0.652321 0.045484 La\n0.401411 0.551926 0.348562 La\n0.036310 0.224760 0.256007 La\n0.198060 0.156748 0.551570 La\n0.801830 0.844134 0.446953 La\n0.996661 0.757142 0.750798 La\n0.600985 0.445216 0.647435 La\n0.786946 0.361585 0.948976 La\n0.400024 0.046428 0.847826 La\n0.267102 0.619226 0.202825 Mg\n0.934629 0.283316 0.094853 Ga\n0.702099 0.899613 0.298580 Ga\n0.500431 0.499656 0.499522 Ga\n0.099760 0.199473 0.401854 Ga\n0.299675 0.100729 0.699687 Ga\n0.899258 0.800593 0.599377 Ga\n0.099823 0.700356 0.899086 Ga\n0.698744 0.400719 0.799160 Ga\n0.503646 0.995687 0.000984 Ga\n0.664803 0.681542 0.066217 O\n0.651681 0.215445 0.046246 O\n0.494104 0.290762 0.262863 O\n0.487242 0.789179 0.241738 O\n0.155058 0.218113 0.034031 O\n0.424590 0.992677 0.355609 O\n0.103452 0.393416 0.159070 O\n0.287084 0.900620 0.467343 O\n0.107124 0.904807 0.131090 O\n0.266865 0.412174 0.441231 O\n0.978890 0.826085 0.249755 O\n0.238251 0.584707 0.559471 O\n0.931806 0.991135 0.362174 O\n0.083782 0.499854 0.666935 O\n0.921779 0.499388 0.336413 O\n0.062948 0.013613 0.641528 O\n0.762397 0.419416 0.441721 O\n0.038182 0.185696 0.759799 O\n0.737215 0.584194 0.560032 O\n0.881324 0.099620 0.866122 O\n0.718634 0.098475 0.533470 O\n0.861289 0.613187 0.842265 O\n0.563512 0.014887 0.641134 O\n0.837544 0.792056 0.960248 O\n0.537515 0.184578 0.759358 O\n0.518091 0.700176 0.733627 O\n0.362348 0.615176 0.840188 O\n0.338124 0.787091 0.956966 O\n0.326111 0.301712 0.933210 O\n",
"nsites": 49,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-La-Mg-O-Sr",
"density": 6.626687012320859,
"density_atomic": 0.07969775364466879,
"volume": 614.8228495682042,
"volume_molar": 7.55622396441639,
"formula_full": "Sr1 La9 Mg1 Ga9 O29",
"formula_reduced": "SrLa9MgGa9O29",
"formula_anonymous": "ABC9D9E29",
"energy": -189.50677936,
"energy_per_atom": -3.8674852930612245,
"energy_above_hull": null,
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"energy_uncorrected": -169.58377936,
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"updated_at": "2021-11-28T01:34:30.276000Z",
"spacegroup": 1
},
{
"id": "mp-1074455",
"created_at": "2022-09-04T14:39:06.054452Z",
"structure_string": "Mg8 Si6\n1.0\n4.849521 0.000000 0.000000\n-1.208814 7.404853 0.000000\n-1.306712 -1.101817 8.134447\nMg Si\n8 6\ndirect\n0.669346 0.473896 0.851508 Mg\n0.775440 0.031301 0.982681 Mg\n0.792356 0.024294 0.600714 Mg\n0.219026 0.022514 0.373118 Mg\n0.568963 0.742934 0.241714 Mg\n0.082254 0.417148 0.550382 Mg\n0.043641 0.420902 0.164744 Mg\n0.194795 0.742869 0.802756 Mg\n0.348279 0.080238 0.730722 Si\n0.137055 0.309910 0.856225 Si\n0.733044 0.156189 0.301078 Si\n0.638825 0.654560 0.584847 Si\n0.021700 0.758132 0.096549 Si\n0.525247 0.415102 0.363071 Si\n",
"nsites": 14,
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"elements": [
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"Si"
],
"chemical_system": "Mg-Si",
"density": 2.063270497730818,
"density_atomic": 0.047927493407184496,
"volume": 292.10791144569544,
"volume_molar": 12.565106855968521,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.15958948,
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"spacegroup": 1
},
{
"id": "mp-755400",
"created_at": "2022-09-04T14:39:06.080887Z",
"structure_string": "Li8 Fe1 O5 F1\n1.0\n5.395117 0.000000 0.000000\n-2.465291 4.856965 0.000000\n-2.532022 -1.395559 5.174006\nLi Fe O F\n8 1 5 1\ndirect\n0.244979 0.474113 0.355694 Li\n0.126799 0.233000 0.658416 Li\n0.403375 0.894870 0.636084 Li\n0.721239 0.345617 0.016058 Li\n0.297623 0.675364 0.968980 Li\n0.579778 0.095598 0.346050 Li\n0.901292 0.795093 0.369498 Li\n0.756811 0.515647 0.648359 Li\n0.932531 0.948091 0.968346 Fe\n0.510022 0.600918 0.762118 O\n0.869536 0.102039 0.240753 O\n0.160046 0.768459 0.232868 O\n0.830877 0.222242 0.761842 O\n0.127856 0.899701 0.758109 O\n0.537234 0.429248 0.276826 F\n",
"nsites": 15,
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"O",
"F"
],
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"volume": 135.57910705543512,
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"formula_full": "Li8 Fe1 O5 F1",
"formula_reduced": "Li8FeO5F",
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"energy": -82.54976025,
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"spacegroup": 1
},
{
"id": "mp-1235267",
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"structure_string": "Li1 Tb4 Al2 Fe2 O12\n1.0\n5.429831 -0.265557 0.389764\n-0.267521 5.640043 -0.393030\n0.486403 -0.488192 8.404957\nLi Tb Al Fe O\n1 4 2 2 12\ndirect\n0.785108 0.487643 0.337254 Li\n0.428696 0.611085 0.169532 Tb\n0.950922 0.064265 0.218480 Tb\n0.496539 0.441399 0.739186 Tb\n0.042407 0.924601 0.778629 Tb\n0.070557 0.412623 0.534695 Al\n0.501545 0.032401 0.990099 Al\n0.976609 0.494314 0.963664 Fe\n0.532704 0.965619 0.530894 Fe\n0.335268 0.982323 0.196073 O\n0.121389 0.445590 0.319834 O\n0.636214 0.037493 0.761079 O\n0.898675 0.532706 0.728521 O\n0.772077 0.841739 0.009981 O\n0.754904 0.253249 0.479549 O\n0.235306 0.174792 0.591246 O\n0.295441 0.713056 0.928349 O\n0.246230 0.224913 0.949998 O\n0.313081 0.676386 0.588481 O\n0.700882 0.785496 0.347171 O\n0.705448 0.314974 0.087287 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 6.5191406221027,
"density_atomic": 0.08242052323795591,
"volume": 254.79090856255544,
"volume_molar": 7.30660340824761,
"formula_full": "Li1 Tb4 Al2 Fe2 O12",
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{
"id": "mp-775802",
"created_at": "2022-09-04T14:39:06.151436Z",
"structure_string": "Zr16 N16 O8\n1.0\n8.891957 0.000000 0.000000\n-2.973879 8.358012 0.000000\n-2.929871 -4.151756 7.247309\nZr N O\n16 16 8\ndirect\n0.500130 0.999845 0.987651 Zr\n0.748411 0.293054 0.535159 Zr\n0.216428 0.961536 0.248763 Zr\n0.719105 0.471220 0.247664 Zr\n0.242446 0.210923 0.953779 Zr\n0.010229 0.510235 0.006396 Zr\n0.535047 0.749545 0.293747 Zr\n0.997110 0.996714 0.505430 Zr\n0.502245 0.499749 0.509599 Zr\n0.970476 0.259388 0.212843 Zr\n0.461401 0.256593 0.717988 Zr\n0.028689 0.739231 0.777490 Zr\n0.752436 0.782790 0.034188 Zr\n0.789794 0.033793 0.760231 Zr\n0.281138 0.534171 0.745751 Zr\n0.251724 0.706624 0.466248 Zr\n0.728352 0.990443 0.959940 N\n0.513630 0.237664 0.967479 N\n0.770269 0.542257 0.528025 N\n0.769322 0.730807 0.262471 N\n0.464141 0.224487 0.455286 N\n0.049294 0.275554 0.013932 N\n0.957517 0.731890 0.991051 N\n0.963960 0.508325 0.237954 N\n0.275424 0.742490 0.226423 N\n0.537053 0.772478 0.543077 N\n0.227425 0.452381 0.466065 N\n0.546009 0.534445 0.775893 N\n0.988086 0.955212 0.726342 N\n0.225277 0.267484 0.734282 N\n0.030152 0.484007 0.758186 N\n0.266605 0.778801 0.730511 N\n0.764265 0.037917 0.488093 O\n0.274950 0.012054 0.047595 O\n0.735264 0.220400 0.274923 O\n0.450975 0.466982 0.223824 O\n0.227494 0.960891 0.503721 O\n0.725814 0.255702 0.767901 O\n0.014346 0.047479 0.277255 O\n0.487568 0.764443 0.036842 O\n",
"nsites": 40,
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],
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"formula_full": "Zr16 N16 O8",
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"energy": -403.14462664000007,
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},
{
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}