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{
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{
"id": "mp-636519",
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"structure_string": "Ni2 Rh4 O8\n1.0\n-1.650207 4.930974 -2.928788\n0.039244 0.054643 6.147997\n5.199772 0.000125 -2.928888\nNi Rh O\n2 4 8\ndirect\n0.125044 0.749999 0.874951 Ni\n0.875022 0.250001 0.124983 Ni\n0.499996 0.499934 0.999913 Rh\n0.500002 0.999983 0.499965 Rh\n0.500036 0.500018 0.499998 Rh\n0.000087 0.000066 0.500004 Rh\n0.758876 0.537252 0.268656 O\n0.731262 0.962607 0.721560 O\n0.731337 0.962744 0.241124 O\n0.241091 0.462620 0.731354 O\n0.721516 0.462630 0.731366 O\n0.268634 0.037360 0.278481 O\n0.278444 0.537404 0.268738 O\n0.268654 0.037385 0.758908 O\n",
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{
"id": "mp-756441",
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"structure_string": "Li4 Fe2 P2 C2 O14\n1.0\n5.063679 0.000000 0.000000\n-0.319522 6.417889 0.000000\n-0.885097 -0.975022 8.403021\nLi Fe P C O\n4 2 2 2 14\ndirect\n0.307638 0.017949 0.721825 Li\n0.644803 0.574717 0.220675 Li\n0.801907 0.745079 0.889444 Li\n0.755097 0.139460 0.221938 Li\n0.217134 0.845616 0.315921 Fe\n0.842093 0.359723 0.638941 Fe\n0.297192 0.354025 0.399175 P\n0.761132 0.847920 0.550723 P\n0.333796 0.849700 0.030339 C\n0.713912 0.335767 0.917688 C\n0.087672 0.838758 0.061855 O\n0.181285 0.415526 0.556302 O\n0.141604 0.152157 0.310459 O\n0.280419 0.533727 0.290431 O\n0.410379 0.841837 0.893232 O\n0.464260 0.899401 0.516139 O\n0.552230 0.258843 0.793796 O\n0.510903 0.865876 0.159483 O\n0.600175 0.311451 0.427927 O\n0.667323 0.330496 0.061889 O\n0.778289 0.673262 0.661021 O\n0.869047 0.773556 0.390035 O\n0.933496 0.429206 0.881089 O\n0.929502 0.044510 0.634838 O\n",
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"formula_full": "Li4 Fe2 P2 C2 O14",
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{
"id": "mp-1220416",
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"structure_string": "Nb2 Fe2 O8\n1.0\n-4.732602 -0.000001 0.000014\n0.000015 -0.000001 -5.045943\n-0.000001 -5.717672 -0.000001\nNb Fe O\n2 2 8\ndirect\n0.500001 0.750001 0.313500 Nb\n0.000000 0.750001 0.813505 Nb\n0.499998 0.249995 0.666755 Fe\n0.999997 0.250001 0.166748 Fe\n0.724445 0.428577 0.391943 O\n0.275556 0.071424 0.391942 O\n0.224460 0.071426 0.891930 O\n0.775541 0.428575 0.891932 O\n0.772318 0.918794 0.117936 O\n0.227683 0.581207 0.117935 O\n0.272326 0.581194 0.617937 O\n0.727675 0.918807 0.617938 O\n",
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"volume": 136.5405227553078,
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"formula_full": "Nb2 Fe2 O8",
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"spacegroup": 30
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{
"id": "mp-1223571",
"created_at": "2022-09-04T14:40:11.343996Z",
"structure_string": "La4 Gd1 Sc15 B20 O60\n1.0\n4.952620 6.071792 0.000000\n-4.952620 6.071792 0.000000\n0.000000 0.991736 18.919006\nLa Gd Sc B O\n4 1 15 20 60\ndirect\n0.399874 0.399881 0.699710 La\n0.800034 0.800007 0.899974 La\n0.199993 0.199966 0.100026 La\n0.600119 0.600126 0.300290 La\n0.999984 0.000016 0.500000 Gd\n0.709604 0.161564 0.080785 Sc\n0.109569 0.561672 0.280837 Sc\n0.509558 0.961822 0.480919 Sc\n0.909675 0.361366 0.680702 Sc\n0.309612 0.761528 0.880779 Sc\n0.238472 0.690388 0.119221 Sc\n0.638634 0.090325 0.319298 Sc\n0.038178 0.490442 0.519081 Sc\n0.438328 0.890431 0.719163 Sc\n0.838436 0.290396 0.919215 Sc\n0.251954 0.348056 0.899994 Sc\n0.651944 0.748046 0.100006 Sc\n0.051869 0.147614 0.300538 Sc\n0.451900 0.548100 0.500000 Sc\n0.852386 0.948131 0.699462 Sc\n0.500011 0.499989 0.000000 B\n0.900051 0.899980 0.200001 B\n0.299790 0.299805 0.400075 B\n0.700195 0.700210 0.599925 B\n0.100020 0.099949 0.799999 B\n0.850781 0.751906 0.400462 B\n0.248094 0.149219 0.599538 B\n0.650009 0.549966 0.799980 B\n0.050041 0.949959 0.000000 B\n0.450034 0.349991 0.200020 B\n0.389967 0.940008 0.220039 B\n0.790841 0.337669 0.420449 B\n0.189345 0.741398 0.619123 B\n0.590051 0.139995 0.819958 B\n0.989992 0.540014 0.020021 B\n0.662331 0.209159 0.579551 B\n0.059992 0.610032 0.779961 B\n0.459986 0.010008 0.979979 B\n0.860005 0.409949 0.180042 B\n0.258602 0.810655 0.380877 B\n0.640330 0.359670 0.000000 O\n0.040272 0.759580 0.200019 O\n0.440327 0.159713 0.400161 O\n0.840287 0.559673 0.599839 O\n0.240420 0.959728 0.799981 O\n0.471954 0.612208 0.056131 O\n0.872225 0.012110 0.256175 O\n0.271668 0.412415 0.456073 O\n0.671994 0.812105 0.656144 O\n0.071936 0.212181 0.856120 O\n0.387792 0.528046 0.943869 O\n0.787819 0.928064 0.143880 O\n0.187895 0.328006 0.343856 O\n0.587585 0.728332 0.543927 O\n0.987890 0.127775 0.743825 O\n0.909813 0.090187 0.000000 O\n0.309778 0.490239 0.200033 O\n0.708576 0.890098 0.399800 O\n0.109902 0.291424 0.600200 O\n0.509761 0.690222 0.799967 O\n0.417995 0.827893 0.163915 O\n0.817575 0.228287 0.363473 O\n0.218649 0.626327 0.564021 O\n0.618195 0.027837 0.763825 O\n0.018044 0.427828 0.963928 O\n0.172107 0.582005 0.836085 O\n0.572172 0.981956 0.036072 O\n0.972163 0.381805 0.236175 O\n0.373673 0.781351 0.435979 O\n0.771713 0.182425 0.636527 O\n0.082875 0.850444 0.940534 O\n0.482822 0.250471 0.140534 O\n0.883732 0.650452 0.341414 O\n0.276529 0.049483 0.539686 O\n0.682752 0.450511 0.740516 O\n0.712795 0.117268 0.871702 O\n0.112822 0.517280 0.071712 O\n0.512861 0.917249 0.271687 O\n0.914686 0.310193 0.472258 O\n0.310710 0.718584 0.671533 O\n0.731389 0.559314 0.178797 O\n0.128520 0.959861 0.381622 O\n0.532048 0.357348 0.578218 O\n0.931460 0.759485 0.778584 O\n0.331347 0.159292 0.978742 O\n0.440686 0.268611 0.821203 O\n0.840708 0.668653 0.021258 O\n0.240515 0.068540 0.221416 O\n0.642652 0.467952 0.421782 O\n0.040139 0.871480 0.618378 O\n0.149556 0.917125 0.059466 O\n0.549489 0.317248 0.259484 O\n0.950517 0.723471 0.460314 O\n0.349548 0.116268 0.658586 O\n0.749529 0.517178 0.859466 O\n0.882732 0.287205 0.128298 O\n0.281416 0.689290 0.328467 O\n0.689807 0.085314 0.527742 O\n0.082751 0.487139 0.728313 O\n0.482720 0.887178 0.928288 O\n",
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"volume": 1137.8373965506653,
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"formula_full": "La4 Gd1 Sc15 B20 O60",
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"energy": -906.06511662,
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{
"id": "mp-20274",
"created_at": "2022-09-04T14:46:27.482338Z",
"structure_string": "Co8 P8 O28\n1.0\n8.442406 0.000000 0.000000\n0.000000 7.078025 0.000000\n0.000000 3.588716 8.378193\nCo P O\n8 8 28\ndirect\n0.937313 0.303358 0.316985 Co\n0.437313 0.696642 0.183015 Co\n0.062687 0.696642 0.683015 Co\n0.562687 0.303358 0.816985 Co\n0.426237 0.768486 0.608663 Co\n0.926237 0.231514 0.891337 Co\n0.573763 0.231514 0.391337 Co\n0.073763 0.768486 0.108663 Co\n0.275545 0.467012 0.967390 P\n0.775545 0.532988 0.532610 P\n0.724455 0.532988 0.032610 P\n0.224455 0.467012 0.467390 P\n0.267944 0.063954 0.257658 P\n0.767944 0.936046 0.242342 P\n0.732056 0.936046 0.742342 P\n0.232056 0.063954 0.757658 P\n0.112727 0.444450 0.898873 O\n0.612727 0.555550 0.601127 O\n0.887273 0.555550 0.101127 O\n0.387273 0.444450 0.398873 O\n0.409373 0.517278 0.843539 O\n0.909373 0.482722 0.656461 O\n0.590627 0.482722 0.156461 O\n0.090627 0.517278 0.343539 O\n0.110979 0.119247 0.309187 O\n0.610979 0.880753 0.190813 O\n0.889021 0.880753 0.690813 O\n0.389021 0.119247 0.809187 O\n0.402122 0.026287 0.380558 O\n0.902122 0.973713 0.119442 O\n0.597878 0.973713 0.619442 O\n0.097878 0.026287 0.880558 O\n0.169598 0.251387 0.599476 O\n0.669598 0.748613 0.900524 O\n0.830402 0.748613 0.400524 O\n0.330402 0.251387 0.099476 O\n0.233415 0.622465 0.547599 O\n0.733415 0.377535 0.952401 O\n0.766585 0.377535 0.452401 O\n0.266585 0.622465 0.047599 O\n0.242183 0.883360 0.703377 O\n0.742183 0.116640 0.796623 O\n0.757817 0.116640 0.296623 O\n0.257817 0.883360 0.203377 O\n",
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{
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"structure_string": "Mn3 Fe9 P6\n1.0\n3.385548 0.000000 0.000000\n0.000000 5.900045 0.000000\n0.000000 0.026864 10.253191\nMn Fe P\n3 9 6\ndirect\n0.500000 0.408091 0.999348 Mn\n0.500000 0.909456 0.501904 Mn\n0.500000 0.796949 0.205089 Mn\n0.500000 0.296843 0.704131 Fe\n0.500000 0.295304 0.296623 Fe\n0.500000 0.795668 0.794971 Fe\n0.000000 0.746276 0.998650 Fe\n0.000000 0.246354 0.501124 Fe\n0.000000 0.626179 0.373939 Fe\n0.000000 0.128044 0.871836 Fe\n0.000000 0.126980 0.126546 Fe\n0.000000 0.627370 0.627547 Fe\n0.000000 0.002139 0.335708 P\n0.000000 0.501376 0.832615 P\n0.000000 0.501944 0.167284 P\n0.000000 0.002065 0.667667 P\n0.500000 0.994957 0.993582 P\n0.500000 0.494206 0.501437 P\n",
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"volume": 204.80631674380396,
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{
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"created_at": "2022-09-04T14:48:16.127094Z",
"structure_string": "Li2 Ti2 Fe3 O10\n1.0\n5.119132 0.000000 0.000000\n1.145558 5.088524 0.000000\n1.837608 1.567386 7.425597\nLi Ti Fe O\n2 2 3 10\ndirect\n0.541196 0.782124 0.394196 Li\n0.458804 0.217876 0.605804 Li\n0.010274 0.871537 0.682323 Ti\n0.989726 0.128463 0.317677 Ti\n0.500000 0.000000 0.000000 Fe\n0.968272 0.311105 0.892470 Fe\n0.031728 0.688895 0.107530 Fe\n0.217776 0.960767 0.857977 O\n0.773998 0.931463 0.513565 O\n0.784000 0.678847 0.935942 O\n0.285371 0.814011 0.210976 O\n0.175959 0.525437 0.680627 O\n0.824041 0.474563 0.319373 O\n0.714629 0.185989 0.789024 O\n0.216000 0.321153 0.064058 O\n0.226002 0.068537 0.486435 O\n0.782224 0.039233 0.142023 O\n",
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{
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{
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{
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{
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"formula_full": "Li8 Co12 O4 F24",
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{
"id": "mp-1276873",
"created_at": "2022-09-04T14:42:03.563392Z",
"structure_string": "Co4 P2 O10\n1.0\n5.411666 0.001196 -0.001296\n0.001188 5.355389 -0.004357\n-2.707993 -2.683336 6.284088\nCo P O\n4 2 10\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.629256 0.378942 0.258652 P\n0.370744 0.621058 0.741348 P\n0.804552 0.312027 0.124765 O\n0.303354 0.794504 0.606837 O\n0.303556 0.312587 0.606838 O\n0.320126 0.311953 0.124796 O\n0.195448 0.687973 0.875235 O\n0.696645 0.205496 0.393163 O\n0.696444 0.687413 0.393163 O\n0.679874 0.688047 0.875204 O\n0.112254 0.861984 0.224434 O\n0.887746 0.138016 0.775566 O\n",
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}