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{
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{
"id": "mp-10883",
"created_at": "2022-09-04T14:42:57.018015Z",
"structure_string": "Al1 Cr1 Co2\n1.0\n0.000000 2.854744 2.854744\n2.854744 0.000000 2.854744\n2.854744 2.854744 0.000000\nAl Cr Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cr\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
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{
"id": "mp-705555",
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"structure_string": "Fe20 O22\n1.0\n6.810320 0.000000 0.000000\n-2.145893 6.550603 0.000000\n-2.601589 -2.213225 10.200542\nFe O\n20 22\ndirect\n0.500000 0.000000 0.500000 Fe\n0.668272 0.912399 0.270387 Fe\n0.500000 0.000000 0.000000 Fe\n0.130956 0.178093 0.953103 Fe\n0.331728 0.087601 0.729613 Fe\n0.944731 0.259378 0.684859 Fe\n0.142786 0.180539 0.451003 Fe\n0.762125 0.360692 0.406408 Fe\n0.966056 0.273159 0.186028 Fe\n0.582563 0.442628 0.137312 Fe\n0.774996 0.348923 0.908719 Fe\n0.417437 0.557372 0.862688 Fe\n0.593724 0.470581 0.641573 Fe\n0.237875 0.639308 0.593592 Fe\n0.406276 0.529419 0.358427 Fe\n0.055269 0.740622 0.315141 Fe\n0.225004 0.651077 0.091281 Fe\n0.869044 0.821907 0.046897 Fe\n0.033944 0.726841 0.813972 Fe\n0.857214 0.819461 0.548997 Fe\n0.077001 0.445693 0.378728 O\n0.904074 0.532072 0.120073 O\n0.095926 0.467928 0.879927 O\n0.741860 0.624332 0.852952 O\n0.922999 0.554307 0.621272 O\n0.538866 0.719353 0.560154 O\n0.735331 0.651668 0.337864 O\n0.372814 0.802946 0.301734 O\n0.552086 0.733399 0.078663 O\n0.173228 0.890399 0.003625 O\n0.340059 0.821252 0.794262 O\n0.028788 0.000016 0.754824 O\n0.182996 0.915719 0.533567 O\n0.817004 0.084281 0.466433 O\n0.971212 0.999984 0.245176 O\n0.659941 0.178748 0.205738 O\n0.826772 0.109601 0.996375 O\n0.447914 0.266601 0.921337 O\n0.627186 0.197054 0.698266 O\n0.264669 0.348332 0.662136 O\n0.461134 0.280647 0.439846 O\n0.258140 0.375668 0.147048 O\n",
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"formula_full": "Fe20 O22",
"formula_reduced": "Fe10O11",
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"energy": -340.87579261,
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},
{
"id": "mp-1233746",
"created_at": "2022-09-04T14:43:02.171370Z",
"structure_string": "Mg1 Mn2 P2 H4 O10\n1.0\n5.294284 -0.499555 -1.631730\n-1.188696 4.935428 -1.210288\n-0.302320 0.272975 8.011850\nMg Mn P H O\n1 2 2 4 10\ndirect\n0.019653 0.784887 0.091377 Mg\n0.014798 0.558067 0.517800 Mn\n0.527535 0.019725 0.986794 Mn\n0.362643 0.508228 0.209421 P\n0.626549 0.474281 0.752816 P\n0.774302 0.860962 0.305051 H\n0.030941 0.149679 0.334984 H\n0.195354 0.129760 0.694442 H\n0.989041 0.940535 0.766179 H\n0.317100 0.650869 0.051721 O\n0.168768 0.583813 0.300152 O\n0.697456 0.382634 0.933267 O\n0.768808 0.371758 0.634717 O\n0.663482 0.640865 0.346309 O\n0.298786 0.192475 0.138368 O\n0.315929 0.379832 0.641437 O\n0.741600 0.800692 0.839468 O\n0.147154 0.950288 0.730175 O\n0.865097 0.008151 0.243377 O\n",
"nsites": 19,
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"elements": [
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"H",
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],
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"density": 2.9280365321866038,
"density_atomic": 0.09302341970544233,
"volume": 204.24964014614062,
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"formula_full": "Mg1 Mn2 P2 H4 O10",
"formula_reduced": "MgMn2P2(H2O5)2",
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"spacegroup": 1
},
{
"id": "mp-1245177",
"created_at": "2022-09-04T14:43:02.242324Z",
"structure_string": "P30 O75\n1.0\n11.164956 -0.028753 1.275215\n-0.088049 12.909506 0.567941\n1.357070 0.563425 13.177593\nP O\n30 75\ndirect\n0.804877 0.343416 0.197136 P\n0.067266 0.962499 0.211295 P\n0.890810 0.593507 0.492774 P\n0.954399 0.158802 0.149308 P\n0.302903 0.363680 0.643935 P\n0.489418 0.182026 0.850140 P\n0.114517 0.586812 0.096873 P\n0.582996 0.724475 0.811441 P\n0.173044 0.996634 0.792473 P\n0.975389 0.082451 0.486004 P\n0.794167 0.961760 0.648902 P\n0.100863 0.281434 0.951783 P\n0.362684 0.384892 0.860741 P\n0.523876 0.491340 0.521908 P\n0.450630 0.000710 0.012090 P\n0.816144 0.905948 0.210147 P\n0.405277 0.794714 0.362901 P\n0.210806 0.907020 0.002865 P\n0.481746 0.395313 0.238544 P\n0.322967 0.313275 0.172795 P\n0.736457 0.395804 0.736698 P\n0.762786 0.205565 0.857763 P\n0.065344 0.689515 0.283884 P\n0.631564 0.314724 0.393231 P\n0.381158 0.087005 0.237481 P\n0.794281 0.575528 0.840399 P\n0.962324 0.658504 0.631648 P\n0.555507 0.664975 0.353741 P\n0.370134 0.136925 0.669915 P\n0.902330 0.997838 0.834281 P\n0.042487 0.042044 0.789103 O\n0.389589 0.482586 0.897576 O\n0.493373 0.563874 0.429648 O\n0.608989 0.404215 0.474918 O\n0.960582 0.906705 0.159541 O\n0.623203 0.167565 0.846173 O\n0.641630 0.823017 0.757713 O\n0.462551 0.175753 0.741301 O\n0.885475 0.935936 0.933205 O\n0.081313 0.238312 0.064126 O\n0.165844 0.800132 0.006955 O\n0.420120 0.059909 0.601021 O\n0.246818 0.667732 0.799170 O\n0.447106 0.690867 0.294343 O\n0.900577 0.137734 0.421313 O\n0.834302 0.105201 0.822362 O\n0.248734 0.107664 0.757163 O\n0.535944 0.499756 0.215050 O\n0.892735 0.105239 0.081754 O\n0.630911 0.211930 0.447258 O\n0.219875 0.346110 0.922732 O\n0.294178 0.681896 0.701875 O\n0.769824 0.456853 0.833471 O\n0.355920 0.915499 0.988094 O\n0.166804 0.972873 0.098366 O\n0.229684 0.560248 0.126109 O\n0.504252 0.110912 0.250221 O\n0.415970 0.095464 0.925794 O\n0.576651 0.969617 0.982006 O\n0.018556 0.627886 0.203240 O\n0.820380 0.605540 0.936569 O\n0.806388 0.283712 0.759186 O\n0.909994 0.605050 0.741471 O\n0.913204 0.977204 0.549796 O\n0.096527 0.101535 0.505041 O\n0.028812 0.263192 0.876256 O\n0.805379 0.447627 0.638154 O\n0.036808 0.089089 0.209472 O\n0.285859 0.781853 0.435910 O\n0.178567 0.989291 0.913489 O\n0.822871 0.531374 0.438141 O\n0.604137 0.368273 0.762903 O\n0.715533 0.053333 0.660663 O\n0.427681 0.282115 0.898238 O\n0.173755 0.385789 0.660670 O\n0.757015 0.237051 0.960871 O\n0.683464 0.653121 0.305645 O\n0.392396 0.044327 0.113605 O\n0.705627 0.295599 0.159759 O\n0.741653 0.862544 0.146233 O\n0.797858 0.941978 0.314624 O\n0.055222 0.580203 0.010515 O\n0.280589 0.017200 0.303752 O\n0.683759 0.631243 0.801600 O\n0.476156 0.328177 0.141476 O\n0.557861 0.540764 0.606712 O\n0.520963 0.329214 0.334210 O\n0.438710 0.889286 0.284807 O\n0.389498 0.430575 0.554383 O\n0.332806 0.379605 0.275878 O\n0.175782 0.753618 0.254630 O\n0.872011 0.940132 0.741946 O\n0.753351 0.362479 0.320336 O\n0.978902 0.682967 0.388080 O\n0.397885 0.729988 0.673380 O\n0.215014 0.907867 0.735575 O\n0.050156 0.743203 0.623584 O\n0.902960 0.239953 0.221761 O\n0.002231 0.566753 0.548629 O\n0.303430 0.191195 0.213501 O\n0.361305 0.375095 0.745064 O\n0.520909 0.764572 0.420659 O\n0.842967 0.678478 0.572517 O\n0.894411 0.426327 0.146889 O\n0.339442 0.246820 0.618725 O\n",
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"volume": 1873.3079592423971,
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"formula_full": "P30 O75",
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{
"id": "mp-1176632",
"created_at": "2022-09-04T14:42:57.096025Z",
"structure_string": "Li4 Mn4 F12\n1.0\n5.382932 0.000000 0.000000\n0.000000 5.465607 0.000000\n0.000000 0.000000 7.962184\nLi Mn F\n4 4 12\ndirect\n0.014491 0.020817 0.250000 Li\n0.514491 0.479183 0.750000 Li\n0.485509 0.520817 0.250000 Li\n0.985509 0.979183 0.750000 Li\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.641619 0.106938 0.750000 F\n0.159016 0.163726 0.923178 F\n0.159016 0.163726 0.576822 F\n0.659016 0.336274 0.076822 F\n0.659016 0.336274 0.423178 F\n0.141619 0.393062 0.250000 F\n0.858381 0.606938 0.750000 F\n0.340984 0.663726 0.923178 F\n0.340984 0.663726 0.576822 F\n0.840984 0.836274 0.076822 F\n0.840984 0.836274 0.423178 F\n0.358381 0.893062 0.250000 F\n",
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"formula_full": "Li4 Mn4 F12",
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{
"id": "mp-1040816",
"created_at": "2022-09-04T14:43:01.052640Z",
"structure_string": "La1 Cr1 Sb1 O6\n1.0\n5.477488 0.000000 0.000000\n-2.725287 4.759686 0.000000\n-2.711749 -1.575165 4.535272\nLa Cr Sb O\n1 1 1 6\ndirect\n0.500003 0.742325 0.759274 La\n0.995403 0.487960 0.004422 Cr\n0.001060 0.990944 0.504565 Sb\n0.502604 0.746029 0.327831 O\n0.923252 0.699592 0.203964 O\n0.079285 0.296566 0.782997 O\n0.933783 0.198902 0.199675 O\n0.065507 0.766807 0.787640 O\n0.499516 0.229465 0.689870 O\n",
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{
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"formula_full": "V12 P8 O32",
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{
"id": "mp-1227162",
"created_at": "2022-09-04T14:43:01.445978Z",
"structure_string": "Ca1 Yb3 Mn4 O12\n1.0\n7.522663 0.000000 0.000000\n0.000000 5.251838 0.000000\n0.000000 0.000035 5.364315\nCa Yb Mn O\n1 3 4 12\ndirect\n0.500000 0.991487 0.547196 Ca\n0.500000 0.511021 0.052728 Yb\n0.000000 0.011165 0.445602 Yb\n0.000000 0.488751 0.947268 Yb\n0.751270 0.499937 0.500007 Mn\n0.249119 0.999861 0.999347 Mn\n0.248730 0.499937 0.500007 Mn\n0.750881 0.999861 0.999347 Mn\n0.288747 0.699054 0.799524 O\n0.711005 0.796903 0.295688 O\n0.792290 0.297215 0.203970 O\n0.205745 0.203190 0.704598 O\n0.207710 0.297215 0.203970 O\n0.794255 0.203190 0.704598 O\n0.711253 0.699054 0.799524 O\n0.288995 0.796903 0.295688 O\n0.500000 0.080561 0.981926 O\n0.500000 0.423946 0.479118 O\n0.000000 0.918531 0.019925 O\n0.000000 0.582215 0.519967 O\n",
"nsites": 20,
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"elements": [
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