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{
"id": "mp-554698",
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"structure_string": "K20 Mn2 Mo14 O54\n1.0\n8.131978 0.000000 0.000000\n0.000000 10.820507 0.000000\n0.000000 0.000000 18.777756\nK Mn Mo O\n20 2 14 54\ndirect\n0.048774 0.692866 0.677860 K\n0.048774 0.692866 0.322140 K\n0.264888 0.508633 0.152272 K\n0.951226 0.192866 0.177860 K\n0.908024 0.623084 0.000000 K\n0.381803 0.766424 0.500000 K\n0.735112 0.008633 0.347728 K\n0.264888 0.508633 0.847728 K\n0.739784 0.522391 0.183982 K\n0.735112 0.008633 0.652272 K\n0.381993 0.365330 0.640787 K\n0.618007 0.865330 0.140787 K\n0.260216 0.022391 0.316018 K\n0.951226 0.192866 0.822140 K\n0.739784 0.522391 0.816018 K\n0.260216 0.022391 0.683982 K\n0.091976 0.123084 0.500000 K\n0.618197 0.266424 0.000000 K\n0.618007 0.865330 0.859213 K\n0.381993 0.365330 0.359213 K\n0.706040 0.512476 0.500000 Mn\n0.293960 0.012476 0.000000 Mn\n0.467536 0.178202 0.168910 Mo\n0.906601 0.347628 0.345872 Mo\n0.111550 0.499920 0.500000 Mo\n0.900040 0.822707 0.500000 Mo\n0.888450 0.999920 0.000000 Mo\n0.093399 0.847628 0.154128 Mo\n0.556392 0.181359 0.500000 Mo\n0.093399 0.847628 0.845872 Mo\n0.467536 0.178202 0.831090 Mo\n0.906601 0.347628 0.654128 Mo\n0.443608 0.681359 0.000000 Mo\n0.532464 0.678202 0.668910 Mo\n0.532464 0.678202 0.331090 Mo\n0.099960 0.322707 0.000000 Mo\n0.998544 0.886843 0.422638 O\n0.207496 0.571725 0.574512 O\n0.564133 0.068236 0.772859 O\n0.023323 0.207738 0.646561 O\n0.906590 0.437518 0.429963 O\n0.703691 0.308119 0.678916 O\n0.449318 0.128079 0.421716 O\n0.410187 0.100775 0.086742 O\n0.198506 0.349922 0.500000 O\n0.762409 0.124907 0.500000 O\n0.001456 0.386843 0.922638 O\n0.093410 0.937518 0.070037 O\n0.296309 0.808119 0.821084 O\n0.589813 0.600775 0.413258 O\n0.976677 0.707738 0.853439 O\n0.713946 0.735210 0.712459 O\n0.713946 0.735210 0.287541 O\n0.449318 0.128079 0.578284 O\n0.991914 0.440242 0.724219 O\n0.286054 0.235210 0.787541 O\n0.008086 0.940242 0.775781 O\n0.398315 0.804629 0.647686 O\n0.550682 0.628079 0.078284 O\n0.601685 0.304629 0.852314 O\n0.008086 0.940242 0.224219 O\n0.991914 0.440242 0.275781 O\n0.920465 0.652710 0.500000 O\n0.435867 0.568236 0.727141 O\n0.207496 0.571725 0.425488 O\n0.435867 0.568236 0.272859 O\n0.079535 0.152710 0.000000 O\n0.998544 0.886843 0.577362 O\n0.792504 0.071725 0.925488 O\n0.564041 0.349158 0.500000 O\n0.435959 0.849158 0.000000 O\n0.398315 0.804629 0.352314 O\n0.564133 0.068236 0.227141 O\n0.792504 0.071725 0.074512 O\n0.296309 0.808119 0.178916 O\n0.023323 0.207738 0.353439 O\n0.311000 0.360668 0.000000 O\n0.906590 0.437518 0.570037 O\n0.703691 0.308119 0.321084 O\n0.689000 0.860668 0.500000 O\n0.237591 0.624907 0.000000 O\n0.601685 0.304629 0.147686 O\n0.550682 0.628079 0.921716 O\n0.976677 0.707738 0.146561 O\n0.286054 0.235210 0.212459 O\n0.589813 0.600775 0.586742 O\n0.410187 0.100775 0.913258 O\n0.093410 0.937518 0.929963 O\n0.801494 0.849922 0.000000 O\n0.001456 0.386843 0.077362 O\n",
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"formula_full": "K20 Mn2 Mo14 O54",
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"energy": -649.2840669100001,
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{
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"created_at": "2022-09-04T14:41:21.784918Z",
"structure_string": "Mg2 V2 In2 S8\n1.0\n6.487481 0.001966 3.746158\n2.077049 6.100147 3.896807\n-0.022719 0.169969 7.531477\nMg V In S\n2 2 2 8\ndirect\n0.875912 0.874148 0.874244 Mg\n0.124078 0.125856 0.125760 Mg\n0.500005 0.500007 0.999993 V\n0.500012 0.999989 0.500008 V\n0.499960 0.500035 0.500001 In\n0.000032 0.499971 0.499994 In\n0.731804 0.745541 0.745222 S\n0.274107 0.228660 0.722813 S\n0.274308 0.723056 0.228591 S\n0.722628 0.254768 0.254422 S\n0.725676 0.276946 0.771401 S\n0.277361 0.745238 0.745583 S\n0.268208 0.254447 0.254776 S\n0.725913 0.771333 0.277193 S\n",
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{
"id": "mp-29769",
"created_at": "2022-09-04T14:41:21.776004Z",
"structure_string": "Sc20 Ni8 Te8\n1.0\n3.970071 0.000000 0.000000\n0.000000 10.663736 0.000000\n0.000000 0.000000 17.914351\nSc Ni Te\n20 8 8\ndirect\n0.250000 0.173162 0.480854 Sc\n0.750000 0.826838 0.519146 Sc\n0.750000 0.673162 0.019146 Sc\n0.250000 0.326838 0.980854 Sc\n0.250000 0.059611 0.073208 Sc\n0.750000 0.940389 0.926792 Sc\n0.750000 0.559611 0.426792 Sc\n0.250000 0.440389 0.573208 Sc\n0.250000 0.803332 0.367325 Sc\n0.750000 0.196668 0.632675 Sc\n0.750000 0.303332 0.132675 Sc\n0.250000 0.696668 0.867325 Sc\n0.250000 0.020733 0.773759 Sc\n0.750000 0.979267 0.226241 Sc\n0.750000 0.520733 0.726241 Sc\n0.250000 0.479267 0.273759 Sc\n0.250000 0.782517 0.151402 Sc\n0.750000 0.217483 0.848598 Sc\n0.750000 0.282517 0.348598 Sc\n0.250000 0.717483 0.651402 Sc\n0.250000 0.674120 0.494645 Ni\n0.750000 0.325880 0.505355 Ni\n0.750000 0.174120 0.005355 Ni\n0.250000 0.825880 0.994645 Ni\n0.250000 0.396567 0.415843 Ni\n0.750000 0.603433 0.584157 Ni\n0.750000 0.896567 0.084157 Ni\n0.250000 0.103433 0.915843 Ni\n0.250000 0.190941 0.232800 Te\n0.750000 0.809059 0.767200 Te\n0.750000 0.690941 0.267200 Te\n0.250000 0.309059 0.732800 Te\n0.250000 0.990402 0.607679 Te\n0.750000 0.009598 0.392321 Te\n0.750000 0.490402 0.892321 Te\n0.250000 0.509598 0.107679 Te\n",
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"formula_full": "Sc20 Ni8 Te8",
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{
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"structure_string": "Na1 Cu2 S2 O10\n1.0\n3.030049 4.474673 0.000000\n-3.030049 4.474673 0.000000\n0.000000 4.316066 7.015649\nNa Cu S O\n1 2 2 10\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.082448 0.082448 0.706981 S\n0.917552 0.917552 0.293019 S\n0.179123 0.179123 0.806799 O\n0.820877 0.820877 0.193201 O\n0.198117 0.198117 0.501162 O\n0.801883 0.801883 0.498838 O\n0.760605 0.172540 0.760798 O\n0.172540 0.760605 0.760798 O\n0.239395 0.827460 0.239202 O\n0.827460 0.239395 0.239202 O\n0.667681 0.667681 0.957457 O\n0.332319 0.332319 0.042543 O\n",
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{
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{
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