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"results": [
{
"id": "mp-1176722",
"created_at": "2022-09-04T14:40:20.710425Z",
"structure_string": "Li6 Mn12 P12 O48\n1.0\n-9.093335 0.000000 0.000000\n-0.697706 -9.105135 0.000000\n4.082769 3.786385 10.840359\nLi Mn P O\n6 12 12 48\ndirect\n0.500000 0.500000 0.000000 Li\n0.352142 0.374568 0.359303 Li\n0.748981 0.748925 0.248247 Li\n0.000000 0.000000 0.500000 Li\n0.251019 0.251075 0.751753 Li\n0.647858 0.625432 0.640697 Li\n0.474604 0.159626 0.095936 Mn\n0.015991 0.335938 0.401293 Mn\n0.085612 0.771771 0.152218 Mn\n0.858638 0.386483 0.124078 Mn\n0.643408 0.102802 0.375371 Mn\n0.414844 0.730423 0.347885 Mn\n0.585156 0.269577 0.652115 Mn\n0.356592 0.897198 0.624629 Mn\n0.141362 0.613517 0.875922 Mn\n0.984009 0.664062 0.598707 Mn\n0.914388 0.228229 0.847782 Mn\n0.525396 0.840374 0.904064 Mn\n0.207184 0.427856 0.078018 P\n0.827830 0.038600 0.174189 P\n0.289479 0.082248 0.420286 P\n0.415288 0.834568 0.122233 P\n0.083009 0.664667 0.375092 P\n0.673120 0.451665 0.329557 P\n0.326880 0.548335 0.670443 P\n0.916991 0.335333 0.624908 P\n0.584712 0.165432 0.877767 P\n0.710521 0.917752 0.579714 P\n0.172170 0.961400 0.825811 P\n0.792816 0.572144 0.921982 P\n0.035590 0.366110 0.034627 O\n0.666114 0.021029 0.068304 O\n0.450695 0.013807 0.181832 O\n0.318636 0.325168 0.145529 O\n0.195544 0.216355 0.376508 O\n0.237079 0.796657 0.063614 O\n0.050123 0.484530 0.316365 O\n0.219827 0.594721 0.179627 O\n0.487502 0.749371 0.018032 O\n0.996551 0.734858 0.271540 O\n0.747828 0.555474 0.028420 O\n0.806699 0.996858 0.280706 O\n0.247658 0.061501 0.526710 O\n0.614485 0.279363 0.286605 O\n0.885634 0.211270 0.216632 O\n0.463352 0.137507 0.459962 O\n0.691599 0.498706 0.224868 O\n0.504624 0.764061 0.224098 O\n0.008887 0.750771 0.477153 O\n0.158647 0.531568 0.568915 O\n0.262790 0.925432 0.313249 O\n0.261321 0.698255 0.434540 O\n0.560165 0.551263 0.392692 O\n0.056042 0.068582 0.879875 O\n0.943958 0.931418 0.120125 O\n0.439835 0.448737 0.607308 O\n0.738679 0.301745 0.565460 O\n0.841353 0.468432 0.431085 O\n0.737210 0.074568 0.686751 O\n0.991113 0.249229 0.522847 O\n0.495376 0.235939 0.775902 O\n0.308401 0.501294 0.775132 O\n0.536648 0.862493 0.540038 O\n0.114366 0.788730 0.783368 O\n0.385515 0.720637 0.713395 O\n0.752342 0.938499 0.473290 O\n0.193301 0.003142 0.719294 O\n0.252172 0.444526 0.971580 O\n0.003449 0.265142 0.728460 O\n0.512498 0.250629 0.981968 O\n0.780173 0.405279 0.820373 O\n0.949877 0.515470 0.683635 O\n0.762921 0.203343 0.936386 O\n0.804456 0.783645 0.623492 O\n0.681364 0.674832 0.854471 O\n0.549305 0.986193 0.818168 O\n0.333886 0.978971 0.931696 O\n0.964410 0.633890 0.965373 O\n",
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"volume_molar": 6.929621995572189,
"formula_full": "Li6 Mn12 P12 O48",
"formula_reduced": "LiMn2(PO4)2",
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"spacegroup": 2
},
{
"id": "mp-1519664",
"created_at": "2022-09-04T14:46:10.378550Z",
"structure_string": "Ba4 Na4 La4 W4 O24\n1.0\n8.527981 0.000000 0.000000\n0.000000 8.567867 0.000000\n0.000000 0.000000 8.538994\nBa Na La W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 -0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.026487 0.204949 0.275211 O\n0.973513 0.795051 0.275211 O\n0.973513 0.204949 0.724789 O\n0.026487 0.795051 0.724789 O\n0.290413 0.026660 0.219257 O\n0.290413 0.973340 0.780743 O\n0.709587 0.973340 0.219257 O\n0.709587 0.026660 0.780743 O\n0.213353 0.272334 0.024466 O\n0.786647 0.272334 0.975534 O\n0.213353 0.727666 0.975534 O\n0.786647 0.727666 0.024466 O\n0.473513 0.295051 0.224789 O\n0.526487 0.704949 0.224789 O\n0.526487 0.295051 0.775211 O\n0.473513 0.704949 0.775211 O\n0.209587 0.473340 0.280743 O\n0.209587 0.526660 0.719257 O\n0.790413 0.526660 0.280743 O\n0.790413 0.473340 0.719257 O\n0.286647 0.227666 0.475534 O\n0.713353 0.227666 0.524466 O\n0.286647 0.772334 0.524466 O\n0.713353 0.772334 0.475534 O\n",
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"volume_molar": 9.393264678201525,
"formula_full": "Ba4 Na4 La4 W4 O24",
"formula_reduced": "BaNaLaWO6",
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"spacegroup": 48
},
{
"id": "mp-6075",
"created_at": "2022-09-04T14:39:12.213168Z",
"structure_string": "Ba4 Li2 B10 O20\n1.0\n14.874343 0.000000 0.000000\n0.000000 4.467814 0.000000\n0.000000 1.665200 6.568946\nBa Li B O\n4 2 10 20\ndirect\n0.913023 0.333878 0.801849 Ba\n0.413023 0.666122 0.198151 Ba\n0.086977 0.666122 0.198151 Ba\n0.586977 0.333878 0.801849 Ba\n0.750000 0.990961 0.521006 Li\n0.250000 0.009039 0.478994 Li\n0.164618 0.437927 0.680223 B\n0.664618 0.562073 0.319777 B\n0.835382 0.562073 0.319777 B\n0.335382 0.437927 0.680223 B\n0.750000 0.771594 0.994889 B\n0.250000 0.228406 0.005111 B\n0.919151 0.050417 0.319682 B\n0.419151 0.949583 0.680318 B\n0.080849 0.949583 0.680318 B\n0.580849 0.050417 0.319682 B\n0.910936 0.725312 0.393693 O\n0.410936 0.274688 0.606307 O\n0.089064 0.274688 0.606307 O\n0.589064 0.725312 0.393693 O\n0.750000 0.622575 0.412483 O\n0.250000 0.377425 0.587517 O\n0.750000 0.960827 0.806095 O\n0.250000 0.039173 0.193905 O\n0.513844 0.170007 0.191033 O\n0.013844 0.829993 0.808967 O\n0.486156 0.829993 0.808967 O\n0.986156 0.170007 0.191033 O\n0.645552 0.223674 0.391178 O\n0.145552 0.776326 0.608822 O\n0.354448 0.776326 0.608822 O\n0.854448 0.223674 0.391178 O\n0.668763 0.668236 0.093477 O\n0.168763 0.331764 0.906523 O\n0.331237 0.331764 0.906523 O\n0.831237 0.668236 0.093477 O\n",
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"elements": [
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],
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"volume": 436.54454776706456,
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"formula_full": "Ba4 Li2 B10 O20",
"formula_reduced": "Ba2Li(BO2)5",
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"energy": -286.41194805000003,
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},
{
"id": "mp-1224493",
"created_at": "2022-09-04T14:42:42.243159Z",
"structure_string": "Hf4 Fe1 S8\n1.0\n3.602405 5.855950 0.000000\n-3.602405 5.855950 0.000000\n0.000000 5.851199 6.216645\nHf Fe S\n4 1 8\ndirect\n0.251170 0.251170 0.002966 Hf\n0.748830 0.748830 0.997034 Hf\n0.245564 0.754436 0.500000 Hf\n0.754436 0.245564 0.500000 Hf\n0.000000 0.000000 0.000000 Fe\n0.288673 0.288673 0.669906 S\n0.790225 0.790225 0.665207 S\n0.284994 0.790990 0.165329 S\n0.790990 0.284994 0.165329 S\n0.209010 0.715006 0.834671 S\n0.715006 0.209010 0.834671 S\n0.209775 0.209775 0.334793 S\n0.711327 0.711327 0.330094 S\n",
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"elements": [
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],
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"density": 6.49767590061207,
"density_atomic": 0.0495641191336356,
"volume": 262.2865134544041,
"volume_molar": 12.150202334400426,
"formula_full": "Hf4 Fe1 S8",
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{
"id": "mp-1246681",
"created_at": "2022-09-04T14:41:46.725904Z",
"structure_string": "Ga4 Mo4 N12\n1.0\n12.482663 0.620969 -0.354466\n-2.970844 4.804357 -1.653392\n-2.468484 -5.305384 7.462911\nGa Mo N\n4 4 12\ndirect\n0.679299 0.832814 0.461796 Ga\n0.320701 0.167186 0.538204 Ga\n0.640620 0.341163 0.582436 Ga\n0.359380 0.658837 0.417564 Ga\n0.910336 0.715688 0.641502 Mo\n0.089664 0.284312 0.358498 Mo\n0.668862 0.724931 0.060810 Mo\n0.331138 0.275069 0.939190 Mo\n0.743338 0.700282 0.579482 N\n0.256662 0.299718 0.420518 N\n0.815496 0.303135 0.324836 N\n0.184504 0.696865 0.675164 N\n0.853123 0.453485 0.699266 N\n0.146877 0.546515 0.300734 N\n0.529788 0.312714 0.681539 N\n0.470212 0.687286 0.318461 N\n0.842864 0.774374 0.119258 N\n0.157136 0.225626 0.880742 N\n0.410377 0.474840 0.858264 N\n0.589623 0.525160 0.141736 N\n",
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"formula_full": "Ga4 Mo4 N12",
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{
"id": "mp-759941",
"created_at": "2022-09-04T14:46:05.766673Z",
"structure_string": "Li3 V3 Cr3 P12 O42\n1.0\n7.169998 0.000000 0.000000\n-0.010426 8.068042 0.000000\n-1.701460 -0.032199 13.524657\nLi V Cr P O\n3 3 3 12 42\ndirect\n0.158054 0.135778 0.833003 Li\n0.173173 0.637361 0.500323 Li\n0.837862 0.638358 0.166807 Li\n0.114445 0.504482 0.837470 V\n0.774780 0.492085 0.504561 V\n0.443576 0.492783 0.170007 V\n0.557362 0.993599 0.828945 Cr\n0.220785 0.002633 0.494608 Cr\n0.885684 0.002058 0.163089 Cr\n0.867975 0.217966 0.957012 P\n0.479537 0.322069 0.957499 P\n0.795259 0.717332 0.710129 P\n0.183146 0.819522 0.706009 P\n0.537749 0.216236 0.623789 P\n0.150495 0.317373 0.625576 P\n0.853204 0.822705 0.374492 P\n0.465874 0.716808 0.376338 P\n0.816131 0.318333 0.292285 P\n0.204518 0.217562 0.289789 P\n0.521410 0.823523 0.040071 P\n0.133616 0.718523 0.044860 P\n0.696723 0.352352 0.946641 O\n0.812629 0.065158 0.893644 O\n0.537910 0.819560 0.930690 O\n0.422788 0.151888 0.914211 O\n0.370085 0.461646 0.901033 O\n0.867470 0.565308 0.772478 O\n0.084219 0.668833 0.935309 O\n0.964068 0.852275 0.716240 O\n0.027741 0.312212 0.914360 O\n0.633301 0.808999 0.743933 O\n0.589140 0.175524 0.732302 O\n0.283621 0.958798 0.767108 O\n0.232022 0.647657 0.750948 O\n0.129115 0.325253 0.737374 O\n0.752094 0.661871 0.601206 O\n0.696101 0.317237 0.585964 O\n0.366563 0.354165 0.614760 O\n0.474079 0.066879 0.560362 O\n0.207560 0.817587 0.596698 O\n0.957163 0.961525 0.430974 O\n0.905083 0.651680 0.422555 O\n0.097427 0.147320 0.585285 O\n0.045553 0.459605 0.566904 O\n0.792867 0.334443 0.402987 O\n0.526590 0.563868 0.440537 O\n0.632005 0.850441 0.384408 O\n0.299860 0.801904 0.413966 O\n0.258068 0.180023 0.398506 O\n0.871089 0.815622 0.263827 O\n0.763198 0.148118 0.253059 O\n0.711882 0.459690 0.231869 O\n0.419656 0.663861 0.267411 O\n0.361914 0.318740 0.251347 O\n0.967377 0.802644 0.082698 O\n0.032618 0.355032 0.281845 O\n0.922305 0.181217 0.065546 O\n0.140678 0.067354 0.227236 O\n0.623769 0.961034 0.099609 O\n0.571563 0.651923 0.088718 O\n0.461344 0.331984 0.069051 O\n0.194040 0.563518 0.107092 O\n0.299161 0.851525 0.052183 O\n",
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"formula_full": "Li3 V3 Cr3 P12 O42",
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{
"id": "mp-754497",
"created_at": "2022-09-04T14:46:53.837813Z",
"structure_string": "Mn6 O10 F2\n1.0\n3.016235 0.000000 0.000000\n0.000000 6.429207 0.000000\n0.000000 3.207466 9.654072\nMn O F\n6 10 2\ndirect\n0.000000 0.992987 0.014325 Mn\n0.500000 0.813191 0.339547 Mn\n0.500000 0.501016 0.999468 Mn\n0.000000 0.664827 0.667967 Mn\n0.000000 0.347913 0.328415 Mn\n0.500000 0.173704 0.652220 Mn\n0.500000 0.933186 0.136718 O\n0.000000 0.305521 0.998897 O\n0.000000 0.696819 0.998544 O\n0.000000 0.359146 0.666073 O\n0.500000 0.735215 0.538952 O\n0.500000 0.397501 0.201807 O\n0.500000 0.268889 0.457046 O\n0.500000 0.602293 0.795391 O\n0.000000 0.974567 0.666779 O\n0.000000 0.635483 0.335110 O\n0.000000 0.031898 0.333849 F\n0.500000 0.065846 0.868892 F\n",
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{
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