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{
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{
"id": "mp-1246297",
"created_at": "2022-09-04T14:44:15.354601Z",
"structure_string": "Sc2 Mn6 N6\n1.0\n7.411656 -0.039953 0.000000\n-3.738363 6.390099 0.000000\n0.000000 0.000000 3.785462\nSc Mn N\n2 6 6\ndirect\n0.668745 0.330040 0.750000 Sc\n0.331255 0.669960 0.250000 Sc\n0.864474 0.732368 0.250000 Mn\n0.869156 0.131691 0.250000 Mn\n0.266990 0.134792 0.250000 Mn\n0.135526 0.267632 0.750000 Mn\n0.130844 0.868309 0.750000 Mn\n0.733010 0.865208 0.750000 Mn\n0.826169 0.656614 0.750000 N\n0.831776 0.169574 0.750000 N\n0.342626 0.172889 0.750000 N\n0.173831 0.343386 0.250000 N\n0.168224 0.830426 0.250000 N\n0.657374 0.827111 0.250000 N\n",
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"spacegroup": 63
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{
"id": "mp-1001825",
"created_at": "2022-09-04T14:44:15.438191Z",
"structure_string": "Li2 Be2\n1.0\n3.720967 0.000000 0.000000\n0.000000 2.258778 0.000000\n0.000000 1.264598 5.306194\nLi Be\n2 2\ndirect\n0.750000 0.509553 0.149587 Li\n0.250000 0.490447 0.850413 Li\n0.750000 0.193285 0.583723 Be\n0.250000 0.806715 0.416277 Be\n",
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},
{
"id": "mp-583967",
"created_at": "2022-09-04T14:44:15.351929Z",
"structure_string": "Li8 Co4 P8 O32\n1.0\n8.292558 0.000000 0.000000\n-1.994999 8.167495 0.000000\n-0.044377 -0.039601 10.587885\nLi Co P O\n8 4 8 32\ndirect\n0.439182 0.223107 0.565935 Li\n0.445388 0.717459 0.939242 Li\n0.385270 0.900750 0.669720 Li\n0.636367 0.171431 0.852140 Li\n0.620350 0.587229 0.171312 Li\n0.607070 0.104553 0.323030 Li\n0.551867 0.781364 0.431686 Li\n0.380008 0.403916 0.830451 Li\n0.906008 0.920376 0.832289 Co\n0.088194 0.576447 0.339204 Co\n0.904162 0.426579 0.665632 Co\n0.109937 0.077743 0.159451 Co\n0.715015 0.470412 0.418270 P\n0.749626 0.059048 0.597884 P\n0.280744 0.530719 0.584063 P\n0.250529 0.944659 0.404829 P\n0.751931 0.551226 0.904213 P\n0.243657 0.450290 0.098033 P\n0.290245 0.028723 0.909393 P\n0.727367 0.963752 0.080764 P\n0.180959 0.068614 0.319719 O\n0.119673 0.540329 0.663847 O\n0.896132 0.708340 0.876341 O\n0.718972 0.997451 0.464113 O\n0.402965 0.435587 0.162552 O\n0.265100 0.511784 0.963051 O\n0.594713 0.303101 0.423239 O\n0.106955 0.781502 0.400069 O\n0.894622 0.222021 0.605464 O\n0.587648 0.576736 0.855038 O\n0.353556 0.886412 0.856496 O\n0.407232 0.914951 0.345319 O\n0.214695 0.481021 0.445875 O\n0.119899 0.036148 0.843382 O\n0.873886 0.454084 0.341611 O\n0.609048 0.795233 0.082193 O\n0.397573 0.700012 0.582641 O\n0.272780 0.012571 0.538426 O\n0.819310 0.929558 0.675914 O\n0.350902 0.396301 0.642002 O\n0.410858 0.193813 0.888868 O\n0.648661 0.608125 0.362225 O\n0.167518 0.572142 0.179890 O\n0.109472 0.281510 0.103010 O\n0.669001 0.099419 0.145909 O\n0.247514 0.998368 0.053389 O\n0.800773 0.409363 0.821692 O\n0.780992 0.519808 0.558307 O\n0.599357 0.091781 0.668635 O\n0.767347 0.013599 0.935532 O\n0.899337 0.950220 0.140371 O\n0.757894 0.507727 0.042125 O\n",
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"elements": [
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"O"
],
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"volume": 717.1113736274093,
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"formula_full": "Li8 Co4 P8 O32",
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"updated_at": "2021-11-28T01:36:33.481000Z",
"spacegroup": 1
},
{
"id": "mp-24708",
"created_at": "2022-09-04T14:44:15.415803Z",
"structure_string": "Zn4 H32 S4 O32\n1.0\n13.613129 0.000000 0.000000\n0.000000 6.094736 0.000000\n0.000000 6.057638 7.957767\nZn H S O\n4 32 4 32\ndirect\n0.896287 0.706024 0.219693 Zn\n0.396287 0.293976 0.280307 Zn\n0.103713 0.293976 0.780307 Zn\n0.603713 0.706024 0.719693 Zn\n0.900005 0.523901 0.551274 H\n0.400005 0.476099 0.948726 H\n0.099995 0.476099 0.448726 H\n0.599995 0.523901 0.051274 H\n0.814167 0.746524 0.451953 H\n0.314167 0.253476 0.048047 H\n0.185833 0.253476 0.548047 H\n0.685833 0.746524 0.951953 H\n0.916257 0.161633 0.473208 H\n0.416257 0.838367 0.026792 H\n0.083743 0.838367 0.526792 H\n0.583743 0.161633 0.973208 H\n0.984033 0.225432 0.323513 H\n0.484033 0.774568 0.176487 H\n0.015967 0.774568 0.676487 H\n0.515967 0.225432 0.823513 H\n0.914799 0.247870 0.052542 H\n0.734959 0.403001 0.278917 H\n0.085201 0.752130 0.947458 H\n0.585201 0.247870 0.552542 H\n0.814195 0.151978 0.154565 H\n0.314195 0.848022 0.345435 H\n0.185805 0.848022 0.845435 H\n0.685805 0.151978 0.654565 H\n0.692931 0.692717 0.222885 H\n0.192931 0.307283 0.277115 H\n0.307069 0.307283 0.777115 H\n0.807069 0.692717 0.722885 H\n0.765041 0.403001 0.778917 H\n0.265041 0.596999 0.721083 H\n0.234959 0.596999 0.221083 H\n0.414799 0.752130 0.447458 H\n0.891396 0.987601 0.816814 S\n0.391396 0.012399 0.683186 S\n0.108604 0.012399 0.183186 S\n0.608604 0.987601 0.316814 S\n0.749314 0.601780 0.211857 O\n0.249314 0.398220 0.288143 O\n0.250686 0.398220 0.788143 O\n0.750686 0.601780 0.711857 O\n0.875682 0.677751 0.438446 O\n0.142586 0.870963 0.915437 O\n0.357414 0.870963 0.415437 O\n0.857414 0.129037 0.084563 O\n0.906158 0.898195 0.706921 O\n0.406158 0.101805 0.793079 O\n0.093842 0.101805 0.293079 O\n0.593842 0.898195 0.206921 O\n0.786139 0.047284 0.817452 O\n0.286139 0.952716 0.682548 O\n0.213861 0.952716 0.182548 O\n0.713861 0.047284 0.317452 O\n0.575335 0.286593 0.849887 O\n0.075335 0.713407 0.650113 O\n0.424665 0.713407 0.150113 O\n0.924665 0.286593 0.349887 O\n0.949555 0.245584 0.747036 O\n0.449555 0.754416 0.752964 O\n0.050445 0.754416 0.252964 O\n0.550445 0.245584 0.247036 O\n0.928239 0.762313 0.989086 O\n0.428239 0.237687 0.510914 O\n0.071761 0.237687 0.010914 O\n0.571761 0.762313 0.489086 O\n0.624318 0.677751 0.938446 O\n0.124318 0.322249 0.561554 O\n0.375682 0.322249 0.061554 O\n0.642586 0.129037 0.584563 O\n",
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"elements": [
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"density": 2.349377196045297,
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"volume": 660.2434135176347,
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"formula_full": "Zn4 H32 S4 O32",
"formula_reduced": "ZnH8SO8",
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"spacegroup": 14
},
{
"id": "mp-758632",
"created_at": "2022-09-04T14:44:15.418058Z",
"structure_string": "Na6 H12 C12 N18 O6\n1.0\n5.151400 -8.922487 0.000000\n5.151400 8.922487 0.000000\n0.000000 0.000000 6.598446\nNa H C N O\n6 12 12 18 6\ndirect\n0.000000 0.593300 0.500000 Na\n0.000000 0.593300 0.000000 Na\n0.406700 0.406700 0.000000 Na\n0.406700 0.406700 0.500000 Na\n0.593300 0.000000 0.000000 Na\n0.593300 0.000000 0.500000 Na\n0.170122 0.813132 0.750000 H\n0.305005 0.781694 0.750000 H\n0.218306 0.523311 0.750000 H\n0.186868 0.356991 0.750000 H\n0.476689 0.694995 0.750000 H\n0.643009 0.829878 0.750000 H\n0.356991 0.186868 0.250000 H\n0.523311 0.218306 0.250000 H\n0.694995 0.476689 0.250000 H\n0.829878 0.643009 0.250000 H\n0.781694 0.305005 0.250000 H\n0.813132 0.170122 0.250000 H\n0.062065 0.914387 0.250000 C\n0.263504 0.877067 0.250000 C\n0.122933 0.386437 0.250000 C\n0.085613 0.147678 0.250000 C\n0.147678 0.085613 0.750000 C\n0.613563 0.736496 0.250000 C\n0.386437 0.122933 0.750000 C\n0.852322 0.937935 0.250000 C\n0.736496 0.613563 0.750000 C\n0.937935 0.852322 0.750000 C\n0.877067 0.263504 0.750000 C\n0.914387 0.062065 0.750000 C\n0.089461 0.935287 0.750000 N\n0.119002 0.819758 0.250000 N\n0.081436 0.474947 0.250000 N\n0.393511 0.918564 0.250000 N\n0.064713 0.154173 0.750000 N\n0.180242 0.299244 0.250000 N\n0.154173 0.064713 0.250000 N\n0.299244 0.180242 0.750000 N\n0.525053 0.606489 0.250000 N\n0.700756 0.880998 0.250000 N\n0.606489 0.525053 0.750000 N\n0.845827 0.910539 0.750000 N\n0.474947 0.081436 0.750000 N\n0.910539 0.845827 0.250000 N\n0.880998 0.700756 0.750000 N\n0.918564 0.393511 0.750000 N\n0.819758 0.119002 0.750000 N\n0.935287 0.089461 0.250000 N\n0.195612 0.730312 0.750000 O\n0.269688 0.465300 0.750000 O\n0.534700 0.804388 0.750000 O\n0.465300 0.269688 0.250000 O\n0.804388 0.534700 0.250000 O\n0.730312 0.195612 0.250000 O\n",
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"formula_full": "Na6 H12 C12 N18 O6",
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"spacegroup": 190
},
{
"id": "mp-1264019",
"created_at": "2022-09-04T14:44:15.453218Z",
"structure_string": "Mn8 Zn12 Si12 O48\n1.0\n9.735704 0.233415 -3.299154\n-4.800471 8.314659 -3.680320\n0.134762 -0.233415 10.278627\nMn Zn Si O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.368235 0.750000 0.118235 Zn\n0.131765 0.250000 0.381765 Zn\n0.368235 0.118235 0.250000 Zn\n0.131765 0.381765 0.750000 Zn\n0.868235 0.750000 0.618235 Zn\n0.750000 0.125000 0.375000 Zn\n0.750000 0.625000 0.875000 Zn\n0.631765 0.250000 0.881765 Zn\n0.250000 0.875000 0.625000 Zn\n0.868235 0.618235 0.250000 Zn\n0.631765 0.881765 0.750000 Zn\n0.250000 0.375000 0.125000 Zn\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.374643 0.250000 0.624643 Si\n0.625357 0.375357 0.250000 Si\n0.125357 0.750000 0.875357 Si\n0.874643 0.124643 0.750000 Si\n0.750000 0.375000 0.625000 Si\n0.374643 0.624643 0.750000 Si\n0.125357 0.875357 0.250000 Si\n0.874643 0.250000 0.124643 Si\n0.625357 0.750000 0.375357 Si\n0.250000 0.625000 0.375000 Si\n0.291653 0.480714 0.372495 O\n0.016426 0.310858 0.895572 O\n0.122103 0.601283 0.902890 O\n0.208347 0.580841 0.189060 O\n0.208347 0.127505 0.019286 O\n0.584714 0.189142 0.205569 O\n0.608219 0.189060 0.480714 O\n0.198393 0.219213 0.597110 O\n0.891781 0.372495 0.580841 O\n0.301607 0.902890 0.280787 O\n0.915286 0.294431 0.310858 O\n0.016426 0.205569 0.120855 O\n0.198393 0.479182 0.601283 O\n0.584714 0.895572 0.379145 O\n0.122103 0.020818 0.219213 O\n0.483574 0.604428 0.189142 O\n0.377897 0.597110 0.898717 O\n0.891781 0.019286 0.310940 O\n0.608219 0.919159 0.127505 O\n0.108219 0.627506 0.419159 O\n0.915286 0.120855 0.604428 O\n0.377897 0.280787 0.479182 O\n0.301607 0.898717 0.020818 O\n0.291653 0.310940 0.919159 O\n0.708347 0.519286 0.627506 O\n0.983574 0.689142 0.104428 O\n0.877897 0.398717 0.097110 O\n0.791653 0.419159 0.810940 O\n0.791653 0.872494 0.980714 O\n0.415286 0.810858 0.794431 O\n0.391781 0.810940 0.519286 O\n0.801607 0.780787 0.402890 O\n0.708347 0.689060 0.080841 O\n0.698393 0.101283 0.979182 O\n0.622103 0.719213 0.520818 O\n0.516426 0.620855 0.705569 O\n0.084714 0.879145 0.395572 O\n0.391781 0.080841 0.872494 O\n0.108219 0.980714 0.689060 O\n0.622103 0.402890 0.101283 O\n0.516426 0.395572 0.810858 O\n0.877897 0.979182 0.780787 O\n0.415286 0.104428 0.620855 O\n0.801607 0.520818 0.398717 O\n0.983574 0.794431 0.879145 O\n0.084714 0.705569 0.689142 O\n0.698393 0.097110 0.719213 O\n0.483574 0.379145 0.294431 O\n",
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{
"id": "mp-1096362",
"created_at": "2022-09-04T14:44:15.486089Z",
"structure_string": "Sr2 Hg1 Bi1\n1.0\n-6.507911 6.826426 9.615261\n6.507911 -6.826426 9.615261\n6.507911 6.826426 -9.615261\nSr Hg Bi\n2 1 1\ndirect\n0.000000 0.269462 0.269462 Sr\n0.000000 0.730538 0.730538 Sr\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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{
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{
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