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{
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"structure_string": "Al4 V4 Te8 O32\n1.0\n8.104843 0.000000 0.000000\n0.000000 4.919119 0.000000\n-6.911256 0.000000 16.544605\nAl V Te O\n4 4 8 32\ndirect\n0.991028 0.746883 0.325052 Al\n0.991028 0.753117 0.825052 Al\n0.008972 0.253117 0.674948 Al\n0.008972 0.246883 0.174948 Al\n0.268941 0.225125 0.427558 V\n0.268941 0.274875 0.927558 V\n0.731059 0.774875 0.572442 V\n0.731059 0.725125 0.072442 V\n0.677459 0.268640 0.222580 Te\n0.677459 0.231360 0.722580 Te\n0.322541 0.731360 0.777420 Te\n0.322541 0.768640 0.277420 Te\n0.794735 0.160485 0.429961 Te\n0.794735 0.339515 0.929961 Te\n0.205265 0.839515 0.570039 Te\n0.205265 0.660485 0.070039 Te\n0.773480 0.577816 0.286511 O\n0.773480 0.922184 0.786511 O\n0.226520 0.422184 0.713489 O\n0.226520 0.077816 0.213489 O\n0.965405 0.917244 0.418567 O\n0.965405 0.582756 0.918567 O\n0.034595 0.082756 0.581433 O\n0.034595 0.417244 0.081433 O\n0.216056 0.930665 0.360725 O\n0.216056 0.569335 0.860725 O\n0.783944 0.069335 0.639275 O\n0.783944 0.430665 0.139275 O\n0.097716 0.569435 0.250323 O\n0.097716 0.930565 0.750323 O\n0.902284 0.430565 0.749677 O\n0.902284 0.069435 0.249677 O\n0.096171 0.455062 0.399861 O\n0.096171 0.044938 0.899861 O\n0.903829 0.544938 0.600139 O\n0.903829 0.955062 0.100139 O\n0.628697 0.110816 0.319929 O\n0.628697 0.389184 0.819929 O\n0.371303 0.889184 0.680071 O\n0.371303 0.610816 0.180071 O\n0.671412 0.888885 0.467231 O\n0.671412 0.611115 0.967231 O\n0.328588 0.111115 0.532769 O\n0.328588 0.388885 0.032769 O\n0.443548 0.371079 0.419065 O\n0.443548 0.128921 0.919065 O\n0.556452 0.628921 0.580935 O\n0.556452 0.871079 0.080935 O\n",
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{
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"structure_string": "Te6 C4 S4 O12 F12\n1.0\n4.327180 7.194405 0.000000\n-4.327180 7.194405 0.000000\n0.000000 3.408100 10.785598\nTe C S O F\n6 4 4 12 12\ndirect\n0.294273 0.402480 0.531501 Te\n0.597520 0.705727 0.468499 Te\n0.071202 0.734638 0.612338 Te\n0.265362 0.928798 0.387662 Te\n0.401223 0.524193 0.690775 Te\n0.475807 0.598777 0.309225 Te\n0.909065 0.219234 0.811358 C\n0.780766 0.090935 0.188642 C\n0.591646 0.816877 0.920415 C\n0.183123 0.408354 0.079585 C\n0.917496 0.231964 0.642437 S\n0.768036 0.082504 0.357563 S\n0.502089 0.876383 0.771899 S\n0.123617 0.497911 0.228101 S\n0.108996 0.112929 0.598950 O\n0.887071 0.891004 0.401050 O\n0.866317 0.426924 0.591866 O\n0.573076 0.133683 0.408134 O\n0.784916 0.166074 0.642827 O\n0.833926 0.215084 0.357173 O\n0.384518 0.779996 0.799196 O\n0.220004 0.615482 0.200804 O\n0.407212 0.074120 0.754925 O\n0.925880 0.592788 0.245075 O\n0.666140 0.799004 0.680264 O\n0.200996 0.333860 0.319736 O\n0.974851 0.043835 0.867684 F\n0.956165 0.025149 0.132316 F\n0.731496 0.307245 0.863686 F\n0.692755 0.268504 0.136314 F\n0.004710 0.300033 0.829980 F\n0.699967 0.995290 0.170020 F\n0.672845 0.633619 0.956433 F\n0.366381 0.327155 0.043567 F\n0.715853 0.883261 0.905524 F\n0.116739 0.284147 0.094476 F\n0.453618 0.890735 0.012273 F\n0.109265 0.546382 0.987727 F\n",
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{
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"structure_string": "Li4 V4 P4 C4 O28\n1.0\n0.000090 6.245208 -0.000189\n0.295790 -0.000259 8.740619\n10.798755 0.000148 0.259009\nLi V P C O\n4 4 4 4 28\ndirect\n0.939807 0.182530 0.121469 Li\n0.939735 0.182434 0.621486 Li\n0.439788 0.817467 0.378514 Li\n0.439747 0.817576 0.878513 Li\n0.754492 0.333399 0.895122 V\n0.254552 0.666601 0.604945 V\n0.754056 0.333217 0.395126 V\n0.254246 0.666757 0.104899 V\n0.258565 0.442294 0.360960 P\n0.258908 0.442430 0.860966 P\n0.758673 0.557710 0.139042 P\n0.758936 0.557565 0.639039 P\n0.749433 0.060517 0.367034 C\n0.749370 0.060628 0.867050 C\n0.249451 0.939467 0.132950 C\n0.249365 0.939404 0.632933 C\n0.458721 0.339997 0.394905 O\n0.458888 0.340107 0.895000 O\n0.958815 0.659977 0.105105 O\n0.958911 0.659890 0.604999 O\n0.766687 0.124315 0.476265 O\n0.766786 0.124496 0.976321 O\n0.266718 0.875666 0.023726 O\n0.266813 0.875522 0.523690 O\n0.272754 0.830456 0.224601 O\n0.272872 0.830456 0.724504 O\n0.772722 0.169535 0.275389 O\n0.772862 0.169571 0.775506 O\n0.564314 0.658477 0.100978 O\n0.564700 0.658609 0.600961 O\n0.064235 0.341533 0.399014 O\n0.064657 0.341414 0.899032 O\n0.770824 0.411326 0.066451 O\n0.770574 0.411214 0.566382 O\n0.270845 0.588671 0.433545 O\n0.270605 0.588789 0.933606 O\n0.259604 0.481793 0.220414 O\n0.259761 0.481665 0.720385 O\n0.759573 0.518206 0.279579 O\n0.759751 0.518332 0.779617 O\n0.707764 0.925353 0.352273 O\n0.707585 0.925517 0.852481 O\n0.207763 0.074622 0.147699 O\n0.207573 0.074496 0.647521 O\n",
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{
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"created_at": "2022-09-04T14:48:25.683836Z",
"structure_string": "Er1 Mg5\n1.0\n1.628602 -2.820821 0.000000\n1.628602 2.820821 0.000000\n0.000000 0.000000 15.993471\nEr Mg\n1 5\ndirect\n0.666667 0.333333 0.500000 Er\n0.000000 0.000000 0.677349 Mg\n0.666667 0.333333 0.838649 Mg\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.161351 Mg\n0.000000 0.000000 0.322651 Mg\n",
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{
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{
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{
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"structure_string": "Cr4 P8 O32\n1.0\n8.946640 0.000000 0.000000\n0.000000 4.776066 0.000000\n0.000000 0.985446 14.313746\nCr P O\n4 8 32\ndirect\n0.932861 0.361751 0.844250 Cr\n0.067139 0.638249 0.155750 Cr\n0.432861 0.638249 0.655750 Cr\n0.567139 0.361751 0.344250 Cr\n0.600115 0.151293 0.765266 P\n0.100115 0.848707 0.734734 P\n0.778223 0.866015 0.427805 P\n0.399885 0.848707 0.234734 P\n0.278223 0.133985 0.072195 P\n0.721777 0.866015 0.927805 P\n0.899885 0.151293 0.265266 P\n0.221777 0.133985 0.572195 P\n0.666004 0.738659 0.021083 O\n0.781745 0.635108 0.867229 O\n0.454692 0.047960 0.306416 O\n0.954692 0.952040 0.193584 O\n0.735690 0.226320 0.250610 O\n0.764310 0.226320 0.750610 O\n0.045308 0.047960 0.806416 O\n0.553351 0.525826 0.585883 O\n0.281745 0.364892 0.632771 O\n0.836030 0.102663 0.937218 O\n0.581188 0.998127 0.868619 O\n0.218255 0.364892 0.132771 O\n0.418812 0.001873 0.131381 O\n0.336030 0.897337 0.562782 O\n0.833996 0.738659 0.521083 O\n0.081188 0.001873 0.631381 O\n0.663970 0.102663 0.437218 O\n0.002732 0.411980 0.265593 O\n0.502732 0.588020 0.234407 O\n0.997268 0.588020 0.734407 O\n0.545308 0.952040 0.693584 O\n0.264310 0.773680 0.749390 O\n0.166004 0.261341 0.478917 O\n0.718255 0.635108 0.367229 O\n0.946649 0.525826 0.085883 O\n0.333996 0.261341 0.978917 O\n0.918812 0.998127 0.368619 O\n0.163970 0.897337 0.062782 O\n0.235690 0.773680 0.249390 O\n0.053351 0.474174 0.914117 O\n0.446649 0.474174 0.414117 O\n0.497268 0.411980 0.765593 O\n",
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"density_atomic": 0.07193977716215427,
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"volume_molar": 8.371086202318818,
"formula_full": "Cr4 P8 O32",
"formula_reduced": "Cr(PO4)2",
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"updated_at": "2021-11-28T01:39:48.064000Z",
"spacegroup": 14
},
{
"id": "mp-1213958",
"created_at": "2022-09-04T14:48:30.016649Z",
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],
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"density": 7.65303528713655,
"density_atomic": 0.037390055764486826,
"volume": 267.45079127424106,
"volume_molar": 16.106263114268593,
"formula_full": "Ce8 Fe2",
"formula_reduced": "Ce4Fe",
"formula_anonymous": "AB4",
"energy": -61.19950887,
"energy_per_atom": -6.119950887,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:48.066000Z",
"spacegroup": 227
},
{
"id": "mp-690672",
"created_at": "2022-09-04T14:48:30.368366Z",
"structure_string": "K3 Na1 Fe1 Cl6\n1.0\n6.904563 4.470276 0.000000\n-6.904563 4.470276 0.000000\n0.000000 0.666735 6.199256\nK Na Fe Cl\n3 1 1 6\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Fe\n0.250566 0.508959 0.328042 Cl\n0.233302 0.233302 0.752273 Cl\n0.508959 0.250566 0.328042 Cl\n0.749434 0.491041 0.671958 Cl\n0.766698 0.766698 0.247727 Cl\n0.491041 0.749434 0.671958 Cl\n",
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"elements": [
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],
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"density": 1.774069063373131,
"density_atomic": 0.02874435606814389,
"volume": 382.68382057063434,
"volume_molar": 20.95068940046312,
"formula_full": "K3 Na1 Fe1 Cl6",
"formula_reduced": "K3NaFeCl6",
"formula_anonymous": "ABC3D6",
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"updated_at": "2021-11-28T01:39:48.075000Z",
"spacegroup": 12
}
]
}