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{
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{
"id": "mp-1237667",
"created_at": "2022-09-04T14:42:12.281056Z",
"structure_string": "Na1 O1\n1.0\n2.241324 1.926558 0.000000\n2.241324 -1.926558 0.000000\n0.591490 0.000000 -2.910429\nNa O\n1 1\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Y3 Ga9 Ni6\n1.0\n0.000000 0.000000 3.803842\n9.357875 0.000000 0.000000\n-4.678938 8.110695 0.000000\nY Ga Ni\n3 9 6\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.833034 0.666068 Y\n0.000000 0.166966 0.333932 Y\n0.500000 0.684254 0.368509 Ga\n0.500000 0.131548 0.816030 Ga\n0.500000 0.684481 0.816030 Ga\n0.500000 0.315746 0.631491 Ga\n0.500000 0.315519 0.183970 Ga\n0.500000 0.868452 0.183970 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.210869 0.000000 Ni\n0.000000 0.500233 0.712449 Ni\n0.000000 0.787784 0.287551 Ni\n0.000000 0.789131 0.000000 Ni\n0.000000 0.499767 0.287551 Ni\n0.000000 0.212216 0.712449 Ni\n",
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{
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"created_at": "2022-09-04T14:42:12.291876Z",
"structure_string": "Ti1 Si1\n1.0\n1.806697 -2.139481 0.000000\n1.806697 2.139481 0.000000\n0.000000 0.000000 3.798949\nTi Si\n1 1\ndirect\n0.044836 0.955164 0.000000 Ti\n0.556664 0.443336 0.500000 Si\n",
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},
{
"id": "mp-1282211",
"created_at": "2022-09-04T14:42:12.301107Z",
"structure_string": "Li4 V4 O8\n1.0\n-1.475965 2.556490 0.001954\n-0.002468 0.004151 10.097018\n4.477251 2.584982 -0.000031\nLi V O\n4 4 8\ndirect\n0.498915 0.239738 0.164156 Li\n0.998997 0.240467 0.664964 Li\n0.999016 0.740462 0.335041 Li\n0.498970 0.739742 0.835866 Li\n0.000367 0.499655 0.665401 V\n0.000345 0.999629 0.334601 V\n0.500368 0.499782 0.165910 V\n0.500346 0.999753 0.834088 V\n0.500725 0.885723 0.177553 O\n0.000703 0.888364 0.677054 O\n0.000753 0.388385 0.322941 O\n0.500735 0.385755 0.822432 O\n0.499865 0.115410 0.491270 O\n0.999910 0.112958 0.993016 O\n0.999881 0.612978 0.006983 O\n0.499903 0.615440 0.508723 O\n",
"nsites": 16,
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"elements": [
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"density": 3.8742829904550504,
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"volume_molar": 5.799866723105713,
"formula_full": "Li4 V4 O8",
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},
{
"id": "mp-1077032",
"created_at": "2022-09-04T14:42:53.921675Z",
"structure_string": "Ce2 Zn4\n1.0\n-2.289391 3.638312 3.760852\n2.289391 -3.638312 3.760852\n2.289391 3.638312 -3.760852\nCe Zn\n2 4\ndirect\n0.714035 0.464035 0.250000 Ce\n0.285965 0.535965 0.750000 Ce\n0.893556 0.836234 0.057322 Zn\n0.106444 0.163766 0.942678 Zn\n0.721088 0.163766 0.557322 Zn\n0.278912 0.836234 0.442678 Zn\n",
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"updated_at": "2021-11-28T01:35:56.128000Z",
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{
"id": "mp-1247251",
"created_at": "2022-09-04T14:42:12.308004Z",
"structure_string": "Ba8 Mo4 N12\n1.0\n6.678199 -0.023326 0.093137\n-10.548711 5.465571 0.000000\n-0.188714 -0.364223 13.384924\nBa Mo N\n8 4 12\ndirect\n0.499706 0.062165 0.864758 Ba\n0.500294 0.562460 0.635242 Ba\n0.500294 0.937835 0.135242 Ba\n0.499706 0.437540 0.364758 Ba\n0.501191 0.859407 0.585553 Ba\n0.498809 0.358216 0.914447 Ba\n0.498809 0.140593 0.414447 Ba\n0.501191 0.641784 0.085553 Ba\n0.500697 0.240628 0.662147 Mo\n0.499303 0.739931 0.837853 Mo\n0.499303 0.759372 0.337853 Mo\n0.500697 0.260069 0.162147 Mo\n0.000000 0.518650 0.750000 N\n0.000000 0.481350 0.250000 N\n0.504677 0.091547 0.624939 N\n0.495323 0.586870 0.875061 N\n0.495323 0.908453 0.375061 N\n0.504677 0.413130 0.124939 N\n0.497886 0.159056 0.052212 N\n0.502114 0.661170 0.447788 N\n0.502114 0.840944 0.947788 N\n0.497886 0.338830 0.552212 N\n0.000000 0.016921 0.750000 N\n0.000000 0.983079 0.250000 N\n",
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],
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"density": 5.6425307407755705,
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"formula_full": "Ba8 Mo4 N12",
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{
"id": "mp-559281",
"created_at": "2022-09-04T14:42:12.311387Z",
"structure_string": "Na12 Cr8 P12 S48\n1.0\n11.442420 0.000000 0.000000\n0.000000 9.857161 0.000000\n0.000000 8.483963 17.514718\nNa Cr P S\n12 8 12 48\ndirect\n0.124279 0.201173 0.795001 Na\n0.875721 0.798827 0.204999 Na\n0.375721 0.201173 0.295001 Na\n0.082856 0.312964 0.146644 Na\n0.624279 0.798827 0.704999 Na\n0.082631 0.288930 0.449951 Na\n0.582631 0.711070 0.050049 Na\n0.417369 0.288930 0.949951 Na\n0.917144 0.687036 0.853356 Na\n0.917369 0.711070 0.550049 Na\n0.582856 0.687036 0.353356 Na\n0.417144 0.312964 0.646644 Na\n0.732208 0.215916 0.211680 Cr\n0.220288 0.796706 0.100232 Cr\n0.232208 0.784084 0.288320 Cr\n0.767792 0.215916 0.711680 Cr\n0.279712 0.796706 0.600232 Cr\n0.267792 0.784084 0.788320 Cr\n0.720288 0.203294 0.399768 Cr\n0.779712 0.203294 0.899768 Cr\n0.865973 0.472041 0.749125 P\n0.738628 0.218532 0.554174 P\n0.184225 0.058302 0.636547 P\n0.634027 0.472041 0.249125 P\n0.684225 0.941698 0.863453 P\n0.315775 0.058302 0.136547 P\n0.134027 0.527959 0.250875 P\n0.761372 0.218532 0.054174 P\n0.815775 0.941698 0.363453 P\n0.261372 0.781468 0.445826 P\n0.238628 0.781468 0.945826 P\n0.365973 0.527959 0.750875 P\n0.553901 0.374173 0.354719 S\n0.107504 0.959330 0.743342 S\n0.637713 0.698533 0.202502 S\n0.199562 0.630191 0.725823 S\n0.323760 0.655336 0.046831 S\n0.350412 0.952481 0.662988 S\n0.190754 0.282564 0.590244 S\n0.176240 0.655336 0.546831 S\n0.053901 0.625827 0.145281 S\n0.823760 0.344664 0.453169 S\n0.435145 0.612386 0.821941 S\n0.564855 0.387614 0.178059 S\n0.607504 0.040670 0.756658 S\n0.649588 0.047519 0.337012 S\n0.446099 0.625827 0.645281 S\n0.362287 0.301467 0.797498 S\n0.149588 0.952481 0.162988 S\n0.300438 0.630191 0.225823 S\n0.892496 0.040670 0.256658 S\n0.137713 0.301467 0.297498 S\n0.676240 0.344664 0.953169 S\n0.064855 0.612386 0.321941 S\n0.392496 0.959330 0.243342 S\n0.946099 0.374173 0.854719 S\n0.880727 0.027419 0.434547 S\n0.840170 0.356402 0.095715 S\n0.800438 0.369809 0.274177 S\n0.380727 0.972581 0.065453 S\n0.126165 0.908293 0.976109 S\n0.699562 0.369809 0.774177 S\n0.340170 0.643598 0.404285 S\n0.850412 0.047519 0.837012 S\n0.659830 0.356402 0.595715 S\n0.690754 0.717436 0.909756 S\n0.809246 0.717436 0.409756 S\n0.862287 0.698533 0.702502 S\n0.309246 0.282564 0.090244 S\n0.149557 0.906160 0.359314 S\n0.873835 0.091707 0.023891 S\n0.119273 0.972581 0.565453 S\n0.373835 0.908293 0.476109 S\n0.850443 0.093840 0.640686 S\n0.350443 0.906160 0.859314 S\n0.619273 0.027419 0.934547 S\n0.159830 0.643598 0.904285 S\n0.935145 0.387614 0.678059 S\n0.649557 0.093840 0.140686 S\n0.626165 0.091707 0.523891 S\n",
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"formula_full": "Na12 Cr8 P12 S48",
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}
]
}