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{
"id": "mp-1187808",
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"structure_string": "U4 Si10 Rh6\n1.0\n-2.910429 4.952985 5.739252\n2.910429 -4.952985 5.739252\n2.910429 4.952985 -5.739252\nU Si Rh\n4 10 6\ndirect\n0.402782 0.633366 0.769416 U\n0.863950 0.133366 0.730584 U\n0.597218 0.366634 0.230584 U\n0.136050 0.866634 0.269416 U\n0.500000 0.250000 0.750000 Si\n0.500000 0.750000 0.250000 Si\n0.222127 0.972127 0.750000 Si\n0.777873 0.027873 0.250000 Si\n0.738626 0.894075 0.844551 Si\n0.049524 0.394075 0.655449 Si\n0.261374 0.105925 0.155449 Si\n0.950476 0.605925 0.344551 Si\n0.777873 0.527873 0.750000 Si\n0.222127 0.472127 0.250000 Si\n0.249872 0.360096 0.889776 Rh\n0.470320 0.860096 0.610224 Rh\n0.529680 0.139904 0.389776 Rh\n0.750128 0.639904 0.110224 Rh\n0.000000 0.750000 0.750000 Rh\n0.000000 0.250000 0.250000 Rh\n",
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{
"id": "mp-1186101",
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"structure_string": "Na1 Ag1 O3\n1.0\n4.112418 0.000000 0.000000\n0.000000 4.112418 0.000000\n0.000000 0.000000 4.112418\nNa Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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},
{
"id": "mp-531078",
"created_at": "2022-09-04T14:47:07.419464Z",
"structure_string": "Li26 Co22 O48\n1.0\n9.412502 -0.001010 6.483135\n3.969326 5.557455 19.439569\n0.005110 -0.004405 15.119887\nLi Co O\n26 22 48\ndirect\n0.999311 0.000526 0.000195 Li\n0.253134 0.993633 0.009699 Li\n0.499070 0.993891 0.009395 Li\n0.085236 0.332835 0.999671 Li\n0.416788 0.166550 0.000131 Li\n0.334375 0.339294 0.990744 Li\n0.747999 0.000689 0.000183 Li\n0.248009 0.501597 0.999375 Li\n0.499417 0.999150 0.501504 Li\n0.162154 0.676155 0.990234 Li\n0.580325 0.339471 0.990538 Li\n0.916676 0.166575 0.000104 Li\n0.080217 0.840089 0.989759 Li\n0.334070 0.334089 0.498508 Li\n0.833890 0.332865 0.999831 Li\n0.416692 0.666623 0.000024 Li\n0.171092 0.666262 0.500680 Li\n0.998907 0.001706 0.501798 Li\n0.753076 0.493319 0.010149 Li\n0.916623 0.166753 0.499881 Li\n0.671208 0.657244 0.009656 Li\n0.416742 0.666538 0.500118 Li\n0.585317 0.831720 0.000629 Li\n0.834250 0.331758 0.498132 Li\n0.916557 0.666819 0.999802 Li\n0.662301 0.667031 0.499387 Li\n0.169689 0.161179 0.005048 Co\n0.246604 0.000796 0.500915 Co\n0.998980 0.496833 0.004704 Co\n0.163773 0.166376 0.500712 Co\n0.663639 0.172159 0.994976 Co\n0.082869 0.334218 0.498947 Co\n0.416641 0.166697 0.499958 Co\n0.000086 0.500013 0.499976 Co\n0.500111 0.499815 0.000147 Co\n0.750431 0.999172 0.500987 Co\n0.669534 0.167005 0.499215 Co\n0.250417 0.499639 0.500539 Co\n0.333194 0.833532 0.999827 Co\n0.586696 0.332625 0.499003 Co\n0.086912 0.830637 0.500890 Co\n0.498854 0.502268 0.499376 Co\n0.334457 0.831082 0.500608 Co\n0.746435 0.502716 0.499105 Co\n0.834394 0.836506 0.995283 Co\n0.582923 0.833648 0.499527 Co\n0.916663 0.666650 0.500035 Co\n0.833264 0.833297 0.500060 Co\n0.098589 0.063854 0.261653 O\n0.015290 0.251139 0.245880 O\n0.340910 0.055981 0.285499 O\n0.234805 0.245377 0.262415 O\n0.097180 0.087456 0.738947 O\n0.597145 0.065431 0.261029 O\n0.174968 0.390080 0.283835 O\n0.325316 0.087970 0.737855 O\n0.068664 0.580496 0.259909 O\n0.508001 0.245400 0.262087 O\n0.840230 0.056715 0.284924 O\n0.236207 0.267777 0.739164 O\n0.431434 0.397563 0.261487 O\n0.007981 0.723513 0.284056 O\n0.158299 0.421062 0.738411 O\n0.736127 0.245931 0.260980 O\n0.598533 0.088001 0.737514 O\n0.340042 0.579750 0.261940 O\n0.069160 0.602103 0.737835 O\n0.264554 0.732055 0.260962 O\n0.492415 0.277280 0.714601 O\n0.658198 0.402659 0.272900 O\n0.817987 0.082260 0.754054 O\n0.568972 0.579735 0.260374 O\n0.435066 0.403677 0.753630 O\n0.158187 0.929857 0.245709 O\n0.318025 0.609096 0.727214 O\n0.734741 0.269475 0.738386 O\n0.935010 0.411649 0.245630 O\n0.515380 0.724147 0.272856 O\n0.675200 0.403423 0.754343 O\n0.398295 0.929612 0.246413 O\n0.264350 0.753665 0.739524 O\n0.840856 0.579038 0.262541 O\n0.568725 0.601292 0.739008 O\n0.764209 0.731266 0.262109 O\n0.175131 0.930715 0.727044 O\n0.993178 0.276579 0.715107 O\n0.493264 0.753575 0.738089 O\n0.931549 0.421260 0.737877 O\n0.675022 0.912203 0.261695 O\n0.401878 0.935828 0.738424 O\n0.825339 0.609790 0.716029 O\n0.901826 0.911996 0.262237 O\n0.764692 0.752825 0.740103 O\n0.658303 0.943316 0.716074 O\n0.992468 0.754352 0.737376 O\n0.898300 0.921730 0.754306 O\n",
"nsites": 96,
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"elements": [
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"density": 4.709959966339286,
"density_atomic": 0.12129120063569195,
"volume": 791.4836319276274,
"volume_molar": 4.96502691740021,
"formula_full": "Li26 Co22 O48",
"formula_reduced": "Li13Co11O24",
"formula_anonymous": "A11B13C24",
"energy": -611.01215312,
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"updated_at": "2021-11-28T01:37:56.811000Z",
"spacegroup": 14
},
{
"id": "mp-1224146",
"created_at": "2022-09-04T14:47:07.079343Z",
"structure_string": "K3 Np3 Si2 O13\n1.0\n0.000561 0.000876 -3.957663\n-4.924796 -8.516543 0.002652\n-4.887818 8.495190 -0.001228\nK Np Si O\n3 3 2 13\ndirect\n0.498832 0.219387 0.996106 K\n0.498879 0.777035 0.780472 K\n0.498814 0.003182 0.223022 K\n0.000263 0.423513 0.402462 Np\n0.000169 0.979341 0.576911 Np\n0.000106 0.597217 0.020474 Np\n0.494854 0.333093 0.666819 Si\n0.558522 0.666695 0.333490 Si\n0.000753 0.230796 0.211139 O\n0.000761 0.980387 0.769472 O\n0.000721 0.788142 0.019461 O\n0.998374 0.597630 0.603200 O\n0.998444 0.005239 0.402529 O\n0.998395 0.397432 0.994666 O\n0.496043 0.326283 0.499809 O\n0.496023 0.173947 0.673898 O\n0.496037 0.500042 0.826515 O\n0.493727 0.832733 0.503009 O\n0.493791 0.497530 0.329652 O\n0.493612 0.670151 0.166957 O\n0.982880 0.666724 0.333236 O\n",
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"elements": [
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],
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"density": 5.491789513148393,
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"formula_full": "K3 Np3 Si2 O13",
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"updated_at": "2021-11-28T01:37:56.266000Z",
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{
"id": "mp-1211684",
"created_at": "2022-09-04T14:47:07.426820Z",
"structure_string": "La4 B20 H4 O40\n1.0\n10.499230 0.000000 0.000000\n0.000000 6.584308 0.000000\n0.000000 4.476929 10.239348\nLa B H O\n4 20 4 40\ndirect\n0.357619 0.771869 0.369197 La\n0.642381 0.228131 0.630803 La\n0.857619 0.228131 0.130803 La\n0.142381 0.771869 0.869197 La\n0.821985 0.436025 0.338479 B\n0.178015 0.563975 0.661521 B\n0.321985 0.563975 0.161521 B\n0.678015 0.436025 0.838479 B\n0.870733 0.739136 0.105632 B\n0.129267 0.260864 0.894368 B\n0.370733 0.260864 0.394368 B\n0.629267 0.739136 0.605632 B\n0.264015 0.998256 0.077469 B\n0.735985 0.001744 0.922531 B\n0.764015 0.001744 0.422531 B\n0.235985 0.998256 0.577469 B\n0.505380 0.314300 0.198668 B\n0.494620 0.685700 0.801332 B\n0.005380 0.685700 0.301332 B\n0.994620 0.314300 0.698668 B\n0.659935 0.691766 0.387429 B\n0.340065 0.308234 0.612571 B\n0.159935 0.308234 0.112571 B\n0.840065 0.691766 0.887429 B\n0.598762 0.740476 0.199594 H\n0.401238 0.259524 0.800406 H\n0.098762 0.259524 0.300406 H\n0.901238 0.740476 0.699594 H\n0.787936 0.943125 0.044581 O\n0.212064 0.056875 0.955419 O\n0.287936 0.056875 0.455419 O\n0.712064 0.943125 0.544581 O\n0.606516 0.237242 0.148573 O\n0.393484 0.762758 0.851427 O\n0.106516 0.762758 0.351427 O\n0.893484 0.237242 0.648573 O\n0.567273 0.749030 0.279142 O\n0.432727 0.250970 0.720858 O\n0.067273 0.250970 0.220858 O\n0.932727 0.749030 0.779142 O\n0.799497 0.551517 0.196453 O\n0.200503 0.448483 0.803547 O\n0.299497 0.448483 0.303547 O\n0.700503 0.551517 0.696453 O\n0.971001 0.815847 0.172983 O\n0.028999 0.184153 0.827017 O\n0.471001 0.184153 0.327017 O\n0.528999 0.815847 0.672983 O\n0.946082 0.493798 0.376408 O\n0.053918 0.506202 0.623592 O\n0.446082 0.506202 0.123592 O\n0.553918 0.493798 0.876408 O\n0.757717 0.868148 0.354635 O\n0.242283 0.131852 0.645365 O\n0.257717 0.131852 0.145365 O\n0.742283 0.868148 0.854635 O\n0.920473 0.677486 0.000577 O\n0.079527 0.322514 0.999423 O\n0.420473 0.322514 0.499423 O\n0.579527 0.677486 0.500577 O\n0.718450 0.473135 0.416219 O\n0.281550 0.526865 0.583781 O\n0.218450 0.526865 0.083781 O\n0.781550 0.473135 0.916219 O\n0.326875 0.802410 0.140529 O\n0.673125 0.197590 0.859471 O\n0.826875 0.197590 0.359471 O\n0.173125 0.802410 0.640529 O\n",
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{
"id": "mp-756863",
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"structure_string": "Li10 Mn6 V4 O20\n1.0\n-1.165995 5.121146 -0.118844\n-1.564492 -2.649372 7.260542\n10.398879 0.181602 0.242955\nLi Mn V O\n10 6 4 20\ndirect\n0.499979 0.499997 0.249997 Li\n0.499917 0.499971 0.749991 Li\n0.900577 0.397428 0.100407 Li\n0.900616 0.397526 0.600446 Li\n0.099337 0.602573 0.399613 Li\n0.099284 0.602490 0.899565 Li\n0.291189 0.776836 0.190424 Li\n0.291110 0.776925 0.690455 Li\n0.708904 0.223103 0.309547 Li\n0.708789 0.223063 0.809530 Li\n0.499985 0.999990 0.499900 Mn\n0.891029 0.900328 0.847164 Mn\n0.108939 0.099200 0.152620 Mn\n0.500370 0.000300 0.000158 Mn\n0.891734 0.900601 0.347248 Mn\n0.108690 0.099377 0.652906 Mn\n0.704933 0.687354 0.551680 V\n0.294921 0.312765 0.448248 V\n0.704870 0.687403 0.051713 V\n0.294854 0.312530 0.948227 V\n0.070323 0.832360 0.025039 O\n0.070351 0.832422 0.525063 O\n0.929672 0.167566 0.474941 O\n0.929654 0.167500 0.974932 O\n0.684955 0.935813 0.160277 O\n0.684848 0.935834 0.660300 O\n0.315276 0.064280 0.339743 O\n0.315064 0.064232 0.839784 O\n0.327361 0.540786 0.068868 O\n0.327370 0.540783 0.568820 O\n0.672570 0.459284 0.431151 O\n0.672524 0.459230 0.931160 O\n0.493332 0.236995 0.105282 O\n0.493274 0.237026 0.605318 O\n0.506869 0.763206 0.394789 O\n0.506666 0.763059 0.894764 O\n0.883115 0.654313 0.210574 O\n0.883093 0.654301 0.710545 O\n0.116870 0.345612 0.289405 O\n0.116786 0.345639 0.789411 O\n",
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"formula_full": "Li10 Mn6 V4 O20",
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{
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"structure_string": "Nd4 Tc4 O14\n1.0\n0.000000 5.268992 5.268992\n5.268992 0.000000 5.268992\n5.268992 5.268992 0.000000\nNd Tc O\n4 4 14\ndirect\n0.125000 0.625000 0.625000 Nd\n0.625000 0.125000 0.625000 Nd\n0.625000 0.625000 0.125000 Nd\n0.625000 0.625000 0.625000 Nd\n0.625000 0.125000 0.125000 Tc\n0.125000 0.625000 0.125000 Tc\n0.125000 0.125000 0.625000 Tc\n0.125000 0.125000 0.125000 Tc\n0.792584 0.792584 0.207416 O\n0.207416 0.207416 0.792584 O\n0.792584 0.207416 0.792584 O\n0.207416 0.792584 0.207416 O\n0.207416 0.792584 0.792584 O\n0.792584 0.207416 0.207416 O\n0.457416 0.457416 0.042584 O\n0.042584 0.042584 0.457416 O\n0.457416 0.042584 0.457416 O\n0.042584 0.457416 0.042584 O\n0.042584 0.457416 0.457416 O\n0.457416 0.042584 0.042584 O\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n",
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{
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