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{
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{
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],
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"formula_full": "Sr1 La9 Mg1 Ga9 O29",
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},
{
"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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"volume": 292.10791144569544,
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"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -44.15958948,
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},
{
"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",
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"formula_full": "Li8 Fe1 O5 F1",
"formula_reduced": "Li8FeO5F",
"formula_anonymous": "ABC5D8",
"energy": -82.54976025,
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{
"id": "mp-1235267",
"created_at": "2022-09-04T14:39:06.140373Z",
"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",
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"elements": [
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],
"chemical_system": "Al-Fe-Li-O-Tb",
"density": 6.5191406221027,
"density_atomic": 0.08242052323795591,
"volume": 254.79090856255544,
"volume_molar": 7.30660340824761,
"formula_full": "Li1 Tb4 Al2 Fe2 O12",
"formula_reduced": "LiTb4Al2(FeO6)2",
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"energy": -169.17433265,
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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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"elements": [
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"N",
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],
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"formula_full": "Zr16 N16 O8",
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{
"id": "mp-758113",
"created_at": "2022-09-04T14:39:06.152089Z",
"structure_string": "Li3 Fe6 Si6 O24\n1.0\n8.771839 0.000000 0.000000\n-2.631966 8.382166 0.000000\n-2.714645 -3.789574 7.451831\nLi Fe Si O\n3 6 6 24\ndirect\n0.061303 0.457580 0.232101 Li\n0.232925 0.056323 0.455906 Li\n0.537234 0.772606 0.938977 Li\n0.892661 0.718773 0.130046 Fe\n0.434598 0.621795 0.216830 Fe\n0.620730 0.211071 0.428741 Fe\n0.136465 0.901843 0.729767 Fe\n0.200851 0.428499 0.613222 Fe\n0.721550 0.133726 0.897703 Fe\n0.278672 0.868509 0.105463 Si\n0.798852 0.572268 0.383802 Si\n0.873085 0.099566 0.270465 Si\n0.379148 0.789673 0.573534 Si\n0.564547 0.387118 0.786345 Si\n0.098317 0.283334 0.875492 Si\n0.963531 0.962338 0.287756 O\n0.396903 0.753154 0.088418 O\n0.077429 0.742790 0.064779 O\n0.901556 0.576879 0.254999 O\n0.302288 0.387429 0.039829 O\n0.738332 0.029640 0.059115 O\n0.665724 0.665522 0.344125 O\n0.674888 0.366469 0.333739 O\n0.316474 0.654460 0.364535 O\n0.945542 0.674920 0.594862 O\n0.747374 0.085917 0.376464 O\n0.588726 0.936719 0.671893 O\n0.378616 0.036417 0.311160 O\n0.257924 0.902021 0.582914 O\n0.033805 0.304781 0.364104 O\n0.664731 0.349930 0.658965 O\n0.350341 0.670100 0.683448 O\n0.353648 0.314824 0.650335 O\n0.656077 0.600793 0.933285 O\n0.278773 0.943112 0.958017 O\n0.961343 0.285817 0.968164 O\n0.079309 0.383379 0.746728 O\n0.594235 0.269580 0.895890 O\n0.061011 0.080263 0.755328 O\n",
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"formula_full": "Li3 Fe6 Si6 O24",
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{
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