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{
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{
"id": "mp-1094546",
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{
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{
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{
"id": "mp-556257",
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"structure_string": "Si48 O96\n1.0\n0.000000 11.004041 11.004041\n11.004041 0.000000 11.004041\n11.004041 11.004041 0.000000\nSi O\n48 96\ndirect\n0.505343 0.330381 0.864474 Si\n0.669619 0.135526 0.494657 Si\n0.005343 0.364474 0.830381 Si\n0.994657 0.700198 0.635526 Si\n0.635526 0.700198 0.169619 Si\n0.200198 0.494657 0.135526 Si\n0.799802 0.864474 0.330381 Si\n0.669619 0.494657 0.200198 Si\n0.135526 0.200198 0.494657 Si\n0.830381 0.364474 0.299802 Si\n0.864474 0.505343 0.330381 Si\n0.830381 0.005343 0.364474 Si\n0.299802 0.830381 0.364474 Si\n0.505343 0.864474 0.799802 Si\n0.169619 0.635526 0.700198 Si\n0.299802 0.005343 0.830381 Si\n0.135526 0.494657 0.669619 Si\n0.864474 0.330381 0.799802 Si\n0.700198 0.635526 0.994657 Si\n0.799802 0.330381 0.505343 Si\n0.994657 0.169619 0.700198 Si\n0.005343 0.299802 0.364474 Si\n0.669619 0.200198 0.135526 Si\n0.364474 0.830381 0.005343 Si\n0.799802 0.505343 0.864474 Si\n0.135526 0.669619 0.200198 Si\n0.830381 0.299802 0.005343 Si\n0.330381 0.505343 0.799802 Si\n0.635526 0.169619 0.994657 Si\n0.169619 0.700198 0.994657 Si\n0.700198 0.169619 0.635526 Si\n0.994657 0.635526 0.169619 Si\n0.700198 0.994657 0.169619 Si\n0.200198 0.669619 0.494657 Si\n0.330381 0.799802 0.864474 Si\n0.169619 0.994657 0.635526 Si\n0.364474 0.299802 0.830381 Si\n0.494657 0.135526 0.200198 Si\n0.494657 0.200198 0.669619 Si\n0.299802 0.364474 0.005343 Si\n0.505343 0.799802 0.330381 Si\n0.494657 0.669619 0.135526 Si\n0.005343 0.830381 0.299802 Si\n0.864474 0.799802 0.505343 Si\n0.200198 0.135526 0.669619 Si\n0.330381 0.864474 0.505343 Si\n0.635526 0.994657 0.700198 Si\n0.364474 0.005343 0.299802 Si\n0.519778 0.743471 0.160134 O\n0.123575 0.376425 0.750000 O\n0.076617 0.160134 0.743471 O\n0.480222 0.839866 0.923383 O\n0.250000 0.123575 0.750000 O\n0.576617 0.019778 0.243471 O\n0.123575 0.250000 0.376425 O\n0.423383 0.339866 0.980222 O\n0.839866 0.256529 0.923383 O\n0.923383 0.480222 0.839866 O\n0.876425 0.750000 0.623575 O\n0.756529 0.980222 0.339866 O\n0.750000 0.123575 0.376425 O\n0.423383 0.980222 0.756529 O\n0.250000 0.876425 0.623575 O\n0.209909 0.209909 0.540091 O\n0.660134 0.243471 0.019778 O\n0.959909 0.290091 0.290091 O\n0.040091 0.709909 0.709909 O\n0.209909 0.540091 0.540091 O\n0.290091 0.959909 0.290091 O\n0.243471 0.576617 0.019778 O\n0.243471 0.019778 0.660134 O\n0.959909 0.959909 0.290091 O\n0.290091 0.959909 0.959909 O\n0.459909 0.790091 0.459909 O\n0.980222 0.339866 0.756529 O\n0.459909 0.790091 0.790091 O\n0.750000 0.623575 0.876425 O\n0.876425 0.623575 0.250000 O\n0.750000 0.250000 0.123575 O\n0.790091 0.790091 0.459909 O\n0.376425 0.250000 0.750000 O\n0.980222 0.423383 0.339866 O\n0.519778 0.076617 0.743471 O\n0.959909 0.290091 0.959909 O\n0.743471 0.519778 0.076617 O\n0.076617 0.743471 0.519778 O\n0.209909 0.540091 0.209909 O\n0.660134 0.576617 0.243471 O\n0.623575 0.250000 0.876425 O\n0.980222 0.756529 0.423383 O\n0.790091 0.459909 0.790091 O\n0.750000 0.250000 0.623575 O\n0.623575 0.876425 0.750000 O\n0.480222 0.256529 0.839866 O\n0.709909 0.709909 0.040091 O\n0.160134 0.519778 0.743471 O\n0.160134 0.076617 0.519778 O\n0.019778 0.243471 0.576617 O\n0.339866 0.756529 0.980222 O\n0.743471 0.160134 0.519778 O\n0.076617 0.519778 0.160134 O\n0.743471 0.076617 0.160134 O\n0.709909 0.040091 0.040091 O\n0.756529 0.423383 0.980222 O\n0.160134 0.743471 0.076617 O\n0.376425 0.123575 0.250000 O\n0.756529 0.339866 0.423383 O\n0.040091 0.040091 0.709909 O\n0.839866 0.923383 0.480222 O\n0.243471 0.660134 0.576617 O\n0.250000 0.750000 0.876425 O\n0.250000 0.376425 0.123575 O\n0.540091 0.540091 0.209909 O\n0.019778 0.660134 0.243471 O\n0.459909 0.459909 0.790091 O\n0.339866 0.423383 0.756529 O\n0.256529 0.480222 0.923383 O\n0.339866 0.980222 0.423383 O\n0.480222 0.923383 0.256529 O\n0.576617 0.660134 0.019778 O\n0.540091 0.209909 0.540091 O\n0.660134 0.019778 0.576617 O\n0.709909 0.040091 0.709909 O\n0.290091 0.290091 0.959909 O\n0.123575 0.750000 0.250000 O\n0.839866 0.480222 0.256529 O\n0.923383 0.256529 0.480222 O\n0.250000 0.750000 0.376425 O\n0.423383 0.756529 0.339866 O\n0.790091 0.459909 0.459909 O\n0.876425 0.250000 0.750000 O\n0.256529 0.839866 0.480222 O\n0.019778 0.576617 0.660134 O\n0.923383 0.839866 0.256529 O\n0.519778 0.160134 0.076617 O\n0.376425 0.750000 0.123575 O\n0.750000 0.376425 0.250000 O\n0.540091 0.209909 0.209909 O\n0.256529 0.923383 0.839866 O\n0.623575 0.750000 0.250000 O\n0.040091 0.709909 0.040091 O\n0.750000 0.876425 0.250000 O\n0.250000 0.623575 0.750000 O\n0.576617 0.243471 0.660134 O\n",
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"volume": 2664.9348438909233,
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"formula_full": "Si48 O96",
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{
"id": "mp-1039395",
"created_at": "2022-09-04T14:41:06.116940Z",
"structure_string": "Mg6 Bi6\n1.0\n5.341601 0.000000 0.000000\n0.000000 3.454110 0.000000\n0.000000 0.000000 17.622863\nMg Bi\n6 6\ndirect\n-0.000000 -0.000000 0.996014 Mg\n-0.000000 -0.000000 0.339345 Mg\n0.500000 -0.000000 0.217728 Mg\n-0.000000 0.500000 0.496014 Mg\n0.000000 0.500000 0.839345 Mg\n0.500000 0.500000 0.717728 Mg\n0.000000 0.500000 0.185536 Bi\n0.500000 0.500000 0.373386 Bi\n0.500000 0.500000 0.054659 Bi\n0.000000 -0.000000 0.685536 Bi\n0.500000 -0.000000 0.873386 Bi\n0.500000 0.000000 0.554659 Bi\n",
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{
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"structure_string": "Co4 As12\n1.0\n-4.135225 4.135225 4.135225\n4.135225 -4.135225 4.135225\n4.135225 4.135225 -4.135225\nCo As\n4 12\ndirect\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.493192 0.341207 0.151985 As\n0.341207 0.848015 0.189222 As\n0.189222 0.341207 0.848015 As\n0.810778 0.658793 0.151985 As\n0.341207 0.151985 0.493192 As\n0.848015 0.506808 0.658793 As\n0.151985 0.493192 0.341207 As\n0.151985 0.810778 0.658793 As\n0.658793 0.848015 0.506808 As\n0.506808 0.658793 0.848015 As\n0.658793 0.151985 0.810778 As\n0.848015 0.189222 0.341207 As\n",
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{
"id": "mp-1245295",
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"structure_string": "Ga50 N50\n1.0\n11.989131 0.010935 -0.196550\n0.016853 11.161423 -0.139387\n-0.203330 -0.134692 11.207981\nGa N\n50 50\ndirect\n0.040929 0.638726 0.594332 Ga\n0.349254 0.441661 0.355394 Ga\n0.892495 0.458622 0.839209 Ga\n0.772794 0.754013 0.584135 Ga\n0.371575 0.160696 0.310828 Ga\n0.499563 0.624174 0.775783 Ga\n0.636828 0.844683 0.845741 Ga\n0.167704 0.758643 0.125840 Ga\n0.406303 0.335997 0.142785 Ga\n0.919899 0.812692 0.074975 Ga\n0.113095 0.805583 0.840992 Ga\n0.100709 0.969873 0.026298 Ga\n0.714362 0.492222 0.645513 Ga\n0.787955 0.281804 0.919889 Ga\n0.139939 0.206455 0.448988 Ga\n0.380264 0.820624 0.963748 Ga\n0.793876 0.220891 0.448496 Ga\n0.617854 0.491461 0.953196 Ga\n0.842180 0.610912 0.162530 Ga\n0.915536 0.101107 0.610350 Ga\n0.957997 0.010870 0.366834 Ga\n0.474209 0.655510 0.181162 Ga\n0.966619 0.321570 0.277017 Ga\n0.634800 0.480948 0.233730 Ga\n0.290706 0.565974 0.548036 Ga\n0.614557 0.046779 0.367318 Ga\n0.140220 0.224162 0.174633 Ga\n0.088597 0.553543 0.233054 Ga\n0.181280 0.687116 0.386295 Ga\n0.757992 0.992812 0.966666 Ga\n0.019336 0.404551 0.028310 Ga\n0.523423 0.674284 0.475641 Ga\n0.227087 0.347552 0.616541 Ga\n0.969698 0.433149 0.539446 Ga\n0.447842 0.908537 0.163974 Ga\n0.011859 0.166671 0.947392 Ga\n0.885705 0.935473 0.770205 Ga\n0.654353 0.737815 0.037987 Ga\n0.390488 0.823588 0.651024 Ga\n0.907229 0.799312 0.428181 Ga\n0.818503 0.116674 0.163785 Ga\n0.713341 0.851380 0.271127 Ga\n0.136873 0.120580 0.723635 Ga\n0.213688 0.555341 0.786909 Ga\n0.153015 0.960772 0.281936 Ga\n0.247726 0.578212 0.012486 Ga\n0.140310 0.920519 0.510633 Ga\n0.383258 0.866721 0.411091 Ga\n0.749810 0.547639 0.400716 Ga\n0.843166 0.682567 0.858588 Ga\n0.397132 0.078915 0.652839 N\n0.949785 0.245461 0.734698 N\n0.566130 0.382747 0.537294 N\n0.068507 0.079151 0.541868 N\n0.061564 0.768003 0.481516 N\n0.215034 0.842195 0.974765 N\n0.946149 0.470947 0.180850 N\n0.095415 0.661849 0.752292 N\n0.596934 0.958401 0.556494 N\n0.469071 0.570835 0.936601 N\n0.807773 0.409270 0.509477 N\n0.772179 0.802757 0.750393 N\n0.214217 0.349275 0.889626 N\n0.658975 0.330335 0.013070 N\n0.333366 0.084536 0.916467 N\n0.291425 0.312915 0.936499 N\n0.565643 0.111199 0.134936 N\n0.689040 0.152619 0.746895 N\n0.054584 0.349467 0.420381 N\n0.687718 0.577390 0.094022 N\n0.236758 0.365033 0.166262 N\n0.177159 0.455236 0.111465 N\n0.458130 0.325056 0.771423 N\n0.814632 0.699861 0.314456 N\n0.235477 0.893607 0.653977 N\n0.255622 0.812062 0.282443 N\n0.674929 0.621215 0.536194 N\n0.573110 0.793573 0.179119 N\n0.173730 0.933985 0.738412 N\n0.712127 0.251850 0.199118 N\n0.659439 0.179021 0.655068 N\n0.971545 0.868480 0.909549 N\n0.641631 0.874314 0.516745 N\n0.897231 0.164506 0.308759 N\n0.449861 0.000497 0.318381 N\n0.209748 0.128646 0.303897 N\n0.404985 0.642030 0.016313 N\n0.667444 0.329769 0.132358 N\n0.967010 0.350945 0.710079 N\n0.850716 0.140908 0.992247 N\n0.800390 0.935684 0.131386 N\n0.392935 0.129391 0.567445 N\n0.489019 0.331352 0.508350 N\n0.320137 0.092984 0.014682 N\n0.477965 0.523311 0.281183 N\n0.422789 0.646257 0.619971 N\n0.475876 0.811919 0.810638 N\n0.565856 0.085651 0.037029 N\n0.489303 0.251619 0.830110 N\n0.636837 0.528992 0.786831 N\n",
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{
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