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{
"id": "mp-757575",
"created_at": "2022-09-04T14:39:30.996707Z",
"structure_string": "Li2 V2 P8 O24\n1.0\n5.834059 8.652803 0.000000\n-5.834059 8.652803 0.000000\n0.000000 1.301068 4.901103\nLi V P O\n2 2 8 24\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.353266 0.353266 0.680227 V\n0.646734 0.646734 0.319773 V\n0.408853 0.763126 0.846721 P\n0.763126 0.408853 0.846721 P\n0.931588 0.693545 0.438133 P\n0.693545 0.931588 0.438133 P\n0.068412 0.306455 0.561867 P\n0.306455 0.068412 0.561867 P\n0.236874 0.591147 0.153279 P\n0.591147 0.236874 0.153279 P\n0.727327 0.272673 0.000000 O\n0.272673 0.727327 0.000000 O\n0.659619 0.953685 0.726267 O\n0.953685 0.659619 0.726267 O\n0.257726 0.494063 0.955017 O\n0.494063 0.257726 0.955017 O\n0.466106 0.690683 0.599080 O\n0.690683 0.466106 0.599080 O\n0.332798 0.927550 0.776547 O\n0.927550 0.332798 0.776547 O\n0.860418 0.860418 0.351229 O\n0.150158 0.378707 0.657067 O\n0.378707 0.150158 0.657067 O\n0.621293 0.849842 0.342933 O\n0.849842 0.621293 0.342933 O\n0.139582 0.139582 0.648771 O\n0.667202 0.072450 0.223453 O\n0.072450 0.667202 0.223453 O\n0.309317 0.533894 0.400920 O\n0.533894 0.309317 0.400920 O\n0.505937 0.742274 0.044983 O\n0.742274 0.505937 0.044983 O\n0.046315 0.340381 0.273733 O\n0.340381 0.046315 0.273733 O\n",
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{
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"structure_string": "Li4 Mn14 P16 O56\n1.0\n4.403753 -5.012277 0.000000\n4.403753 5.012277 0.000000\n0.000000 0.000000 24.491210\nLi Mn P O\n4 14 16 56\ndirect\n0.662863 0.033374 0.201454 Li\n0.966626 0.337137 0.298546 Li\n0.033374 0.662863 0.798546 Li\n0.337137 0.966626 0.701454 Li\n0.330084 0.032425 0.366263 Mn\n0.072395 0.072395 0.500000 Mn\n0.718013 0.281987 0.750000 Mn\n0.576183 0.295254 0.118556 Mn\n0.305154 0.305154 0.000000 Mn\n0.032425 0.330084 0.633737 Mn\n0.704746 0.423817 0.381444 Mn\n0.295254 0.576183 0.881444 Mn\n0.967575 0.669916 0.133737 Mn\n0.694846 0.694846 0.500000 Mn\n0.423817 0.704746 0.618556 Mn\n0.281987 0.718013 0.250000 Mn\n0.927605 0.927605 0.000000 Mn\n0.669916 0.967575 0.866263 Mn\n0.179697 0.074635 0.876416 P\n0.594227 0.188045 0.497415 P\n0.519892 0.239326 0.620874 P\n0.074635 0.179697 0.123584 P\n0.296337 0.212116 0.232872 P\n0.212116 0.296337 0.767128 P\n0.811955 0.405773 0.002585 P\n0.760674 0.480108 0.879126 P\n0.239326 0.519892 0.379126 P\n0.188045 0.594227 0.502585 P\n0.787884 0.703663 0.267128 P\n0.703663 0.787884 0.732872 P\n0.925365 0.820303 0.623584 P\n0.480108 0.760674 0.120874 P\n0.405773 0.811955 0.997415 P\n0.820303 0.925365 0.376416 P\n0.742444 0.029245 0.496937 O\n0.426677 0.021984 0.628504 O\n0.671673 0.083648 0.368822 O\n0.283496 0.039817 0.275198 O\n0.025948 0.010761 0.400772 O\n0.010761 0.025948 0.599228 O\n0.384057 0.100030 0.478199 O\n0.136634 0.120944 0.185495 O\n0.120944 0.136634 0.814505 O\n0.970755 0.257556 0.003063 O\n0.395598 0.209109 0.743767 O\n0.701649 0.287424 0.844943 O\n0.712576 0.298351 0.655057 O\n0.503886 0.255533 0.206673 O\n0.916352 0.328327 0.131178 O\n0.592317 0.273618 0.558972 O\n0.615112 0.320814 0.032060 O\n0.280118 0.263261 0.906327 O\n0.263261 0.280118 0.093673 O\n0.679186 0.384888 0.467940 O\n0.039817 0.283496 0.724802 O\n0.726382 0.407683 0.941028 O\n0.383593 0.360226 0.370193 O\n0.360226 0.383593 0.629807 O\n0.100030 0.384057 0.521801 O\n0.209109 0.395598 0.256233 O\n0.744467 0.496114 0.293327 O\n0.021984 0.426677 0.371496 O\n0.978016 0.573323 0.871496 O\n0.255533 0.503886 0.793327 O\n0.790891 0.604402 0.756233 O\n0.899970 0.615943 0.021801 O\n0.639774 0.616407 0.129807 O\n0.616407 0.639774 0.870193 O\n0.273618 0.592317 0.441028 O\n0.960183 0.716504 0.224802 O\n0.320814 0.615112 0.967940 O\n0.736739 0.719882 0.593673 O\n0.719882 0.736739 0.406327 O\n0.384888 0.679186 0.532060 O\n0.407683 0.726382 0.058972 O\n0.083648 0.671673 0.631178 O\n0.496114 0.744467 0.706673 O\n0.287424 0.701649 0.155057 O\n0.298351 0.712576 0.344943 O\n0.604402 0.790891 0.243767 O\n0.029245 0.742444 0.503063 O\n0.879056 0.863366 0.314505 O\n0.863366 0.879056 0.685495 O\n0.615943 0.899970 0.978199 O\n0.989239 0.974052 0.099228 O\n0.974052 0.989239 0.900772 O\n0.716504 0.960183 0.775198 O\n0.328327 0.916352 0.868822 O\n0.573323 0.978016 0.128504 O\n0.257556 0.970755 0.996937 O\n",
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"elements": [
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"volume_molar": 7.234468780031448,
"formula_full": "Li4 Mn14 P16 O56",
"formula_reduced": "Li2Mn7(P2O7)4",
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"spacegroup": 20
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{
"id": "mp-976187",
"created_at": "2022-09-04T14:39:30.991686Z",
"structure_string": "Pr1 Al8 Fe4\n1.0\n-4.394595 4.394595 2.519271\n4.394595 -4.394595 2.519271\n4.394595 4.394595 -2.519271\nPr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.724653 0.500000 0.224653 Al\n0.500000 0.275347 0.775347 Al\n0.343264 0.000000 0.343264 Al\n0.000000 0.656736 0.656736 Al\n0.000000 0.343264 0.343264 Al\n0.656736 0.000000 0.656736 Al\n0.500000 0.724653 0.224653 Al\n0.275347 0.500000 0.775347 Al\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n",
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"density": 4.950046560784503,
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"formula_full": "Pr1 Al8 Fe4",
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{
"id": "mp-540923",
"created_at": "2022-09-04T14:39:30.987561Z",
"structure_string": "Ba12 Sn4 P12\n1.0\n12.869280 0.000000 0.000000\n0.000000 8.703913 0.000000\n0.000000 3.668345 8.135865\nBa Sn P\n12 4 12\ndirect\n0.930629 0.798940 0.730518 Ba\n0.430629 0.701060 0.269482 Ba\n0.069371 0.201060 0.269482 Ba\n0.569371 0.298940 0.730518 Ba\n0.793712 0.322003 0.057618 Ba\n0.293712 0.177997 0.942382 Ba\n0.206288 0.677997 0.942382 Ba\n0.706288 0.822003 0.057618 Ba\n0.334420 0.991950 0.501713 Ba\n0.834420 0.508050 0.498287 Ba\n0.665580 0.008050 0.498287 Ba\n0.165580 0.491950 0.501713 Ba\n0.006250 0.861399 0.165638 Sn\n0.506250 0.638601 0.834362 Sn\n0.993750 0.138601 0.834362 Sn\n0.493750 0.361399 0.165638 Sn\n0.802980 0.124572 0.755777 P\n0.302980 0.375428 0.244223 P\n0.197020 0.875428 0.244223 P\n0.697020 0.624572 0.755777 P\n0.030857 0.419385 0.841541 P\n0.530857 0.080615 0.158459 P\n0.969143 0.580615 0.158459 P\n0.469143 0.919385 0.841541 P\n0.632288 0.433481 0.332892 P\n0.132288 0.066519 0.667108 P\n0.367712 0.566519 0.667108 P\n0.867712 0.933481 0.332892 P\n",
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{
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"structure_string": "Rb4 Mo2 O8\n1.0\n3.213691 6.538619 0.000000\n-3.213691 6.538619 0.000000\n0.000000 3.510732 7.232104\nRb Mo O\n4 2 8\ndirect\n0.156462 0.156462 0.252106 Rb\n0.843538 0.843538 0.747894 Rb\n0.513344 0.513344 0.761540 Rb\n0.486656 0.486656 0.238460 Rb\n0.823996 0.823996 0.224884 Mo\n0.176004 0.176004 0.775116 Mo\n0.628513 0.085207 0.082456 O\n0.914793 0.371487 0.917544 O\n0.371487 0.914793 0.917544 O\n0.085207 0.628513 0.082456 O\n0.326440 0.326440 0.627910 O\n0.673560 0.673560 0.372090 O\n0.905668 0.905668 0.355841 O\n0.094332 0.094332 0.644159 O\n",
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{
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{
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"formula_full": "Tm2 B2 O6",
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{
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