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{
"id": "mp-863360",
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"structure_string": "Li6 V6 P16 O58\n1.0\n4.900703 8.406869 0.000000\n-4.900703 8.406869 0.000000\n0.000000 0.284741 14.365307\nLi V P O\n6 6 16 58\ndirect\n0.772263 0.323119 0.942445 Li\n0.323119 0.772263 0.442445 Li\n0.679988 0.085733 0.060025 Li\n0.085733 0.679988 0.560025 Li\n0.077872 0.929993 0.009376 Li\n0.929993 0.077872 0.509376 Li\n0.563053 0.433894 0.747140 V\n0.433894 0.563053 0.247140 V\n0.562049 0.996749 0.253267 V\n0.435097 0.001590 0.748704 V\n0.996749 0.562049 0.753267 V\n0.001590 0.435097 0.248704 V\n0.917162 0.784038 0.162907 P\n0.784038 0.917162 0.662907 P\n0.916903 0.306444 0.657295 P\n0.662331 0.665665 0.866628 P\n0.665665 0.662331 0.366628 P\n0.774629 0.316542 0.158322 P\n0.688262 0.222435 0.337772 P\n0.306444 0.916903 0.157295 P\n0.685946 0.086841 0.844191 P\n0.316542 0.774629 0.658322 P\n0.222435 0.688262 0.837772 P\n0.330064 0.337337 0.632782 P\n0.337337 0.330064 0.132782 P\n0.086841 0.685946 0.344191 P\n0.215406 0.085567 0.338281 P\n0.085567 0.215406 0.838281 P\n0.018731 0.756854 0.435944 O\n0.918001 0.739920 0.665506 O\n0.756854 0.018731 0.935944 O\n0.739920 0.918001 0.165506 O\n0.924906 0.620506 0.172324 O\n0.813156 0.662538 0.818279 O\n0.924335 0.460473 0.670408 O\n0.996846 0.205596 0.920876 O\n0.916955 0.344717 0.164918 O\n0.662538 0.813156 0.318279 O\n0.620506 0.924906 0.672324 O\n0.813138 0.521523 0.318864 O\n0.669100 0.666914 0.969355 O\n0.666914 0.669100 0.469355 O\n0.667299 0.512914 0.829539 O\n0.460473 0.924335 0.170408 O\n0.521523 0.813138 0.818864 O\n0.740653 0.348751 0.672578 O\n0.791429 0.200906 0.243252 O\n0.782431 0.207749 0.419994 O\n0.768017 0.240929 0.069573 O\n0.620425 0.475880 0.175800 O\n0.512914 0.667299 0.329539 O\n0.658470 0.258838 0.835135 O\n0.475880 0.620425 0.675800 O\n0.344717 0.916955 0.664918 O\n0.803694 0.989475 0.760329 O\n0.809238 0.999078 0.582634 O\n0.205596 0.996846 0.420876 O\n0.647383 0.087061 0.329500 O\n0.533873 0.382231 0.325665 O\n0.348751 0.740653 0.172578 O\n0.477287 0.338262 0.680296 O\n0.382231 0.533873 0.825665 O\n0.207749 0.782431 0.919994 O\n0.240929 0.768017 0.569573 O\n0.200906 0.791429 0.743252 O\n0.258838 0.658470 0.335135 O\n0.488091 0.182944 0.172378 O\n0.528449 0.088606 0.824457 O\n0.338262 0.477287 0.180296 O\n0.339847 0.338167 0.029919 O\n0.338167 0.339847 0.529919 O\n0.182944 0.488091 0.672378 O\n0.377256 0.082467 0.325737 O\n0.332134 0.188647 0.678491 O\n0.087061 0.647383 0.829500 O\n0.989475 0.803694 0.260329 O\n0.999078 0.809238 0.082634 O\n0.088606 0.528449 0.324457 O\n0.188647 0.332134 0.178491 O\n0.082467 0.377256 0.825737 O\n0.259667 0.081256 0.832390 O\n0.217073 0.984337 0.071123 O\n0.195635 0.005888 0.245855 O\n0.081256 0.259667 0.332390 O\n0.984337 0.217073 0.571123 O\n0.005888 0.195635 0.745855 O\n",
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"formula_full": "Li6 V6 P16 O58",
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"spacegroup": 9
},
{
"id": "mp-752647",
"created_at": "2022-09-04T14:48:10.438058Z",
"structure_string": "Ti3 Ni3 P6 O24\n1.0\n7.289192 -4.304908 0.000000\n7.289192 4.304908 0.000000\n4.746765 0.000000 7.009477\nTi Ni P O\n3 3 6 24\ndirect\n0.355201 0.355201 0.355201 Ti\n0.142338 0.142338 0.142338 Ti\n0.645182 0.645182 0.645182 Ti\n0.997179 0.997179 0.997179 Ni\n0.858194 0.858194 0.858194 Ni\n0.498758 0.498758 0.498758 Ni\n0.456275 0.752390 0.047023 P\n0.752390 0.047023 0.456275 P\n0.047023 0.456275 0.752390 P\n0.952791 0.546210 0.250006 P\n0.250006 0.952791 0.546210 P\n0.546210 0.250006 0.952791 P\n0.683735 0.882699 0.503271 O\n0.882699 0.503271 0.683735 O\n0.503271 0.683735 0.882699 O\n0.254453 0.909196 0.058426 O\n0.608356 0.817378 0.013826 O\n0.432320 0.589364 0.244902 O\n0.909196 0.058426 0.254453 O\n0.589364 0.244902 0.432320 O\n0.002155 0.382241 0.181973 O\n0.244902 0.432320 0.589364 O\n0.945703 0.740976 0.096011 O\n0.181973 0.002155 0.382241 O\n0.817378 0.013826 0.608356 O\n0.058426 0.254453 0.909196 O\n0.756696 0.553472 0.412650 O\n0.013826 0.608356 0.817378 O\n0.412650 0.756696 0.553472 O\n0.096011 0.945703 0.740976 O\n0.553472 0.412650 0.756696 O\n0.382241 0.181973 0.002155 O\n0.740976 0.096011 0.945703 O\n0.488873 0.328023 0.111803 O\n0.111803 0.488873 0.328023 O\n0.328023 0.111803 0.488873 O\n",
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{
"id": "mp-1209746",
"created_at": "2022-09-04T14:48:13.180273Z",
"structure_string": "Pr12 Se12 N4\n1.0\n4.187094 0.000000 0.000000\n0.000000 12.881121 0.000000\n0.000000 0.000000 13.590269\nPr Se N\n12 12 4\ndirect\n0.250000 0.716435 0.865767 Pr\n0.750000 0.283565 0.134233 Pr\n0.750000 0.783565 0.365767 Pr\n0.250000 0.216435 0.634233 Pr\n0.250000 0.580534 0.630602 Pr\n0.750000 0.419466 0.369398 Pr\n0.750000 0.919466 0.130602 Pr\n0.250000 0.080534 0.869398 Pr\n0.250000 0.533977 0.153955 Pr\n0.750000 0.466023 0.846045 Pr\n0.750000 0.966023 0.653955 Pr\n0.250000 0.033977 0.346045 Pr\n0.250000 0.767305 0.195435 Se\n0.750000 0.232695 0.804565 Se\n0.750000 0.732695 0.695435 Se\n0.250000 0.267305 0.304565 Se\n0.250000 0.084109 0.108117 Se\n0.750000 0.915891 0.891883 Se\n0.750000 0.415891 0.608117 Se\n0.250000 0.584109 0.391883 Se\n0.250000 0.863827 0.500430 Se\n0.750000 0.136173 0.499570 Se\n0.750000 0.636173 0.000430 Se\n0.250000 0.363827 0.999570 Se\n0.250000 0.549255 0.796867 N\n0.750000 0.450745 0.203133 N\n0.750000 0.950745 0.296867 N\n0.250000 0.049255 0.703133 N\n",
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],
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"formula_full": "Pr12 Se12 N4",
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{
"id": "mp-505088",
"created_at": "2022-09-04T14:48:09.607168Z",
"structure_string": "Nb8 Te32 I8\n1.0\n16.137289 0.000000 0.000000\n0.000000 8.169770 0.000000\n0.000000 2.104597 13.307114\nNb Te I\n8 32 8\ndirect\n0.749269 0.246240 0.504465 Nb\n0.244151 0.754872 0.244372 Nb\n0.755849 0.245128 0.755628 Nb\n0.750731 0.246240 0.004465 Nb\n0.249269 0.753760 0.995535 Nb\n0.250731 0.753760 0.495535 Nb\n0.255849 0.754872 0.744372 Nb\n0.744151 0.245128 0.255628 Nb\n0.219252 0.474029 0.647207 Te\n0.780748 0.525971 0.352793 Te\n0.167633 0.989528 0.834904 Te\n0.890921 0.256767 0.375469 Te\n0.667633 0.010472 0.665096 Te\n0.109079 0.743233 0.624531 Te\n0.664518 0.477335 0.603120 Te\n0.719252 0.525971 0.852793 Te\n0.790567 0.967145 0.908743 Te\n0.340044 0.522928 0.885952 Te\n0.342720 0.982592 0.860087 Te\n0.835482 0.477335 0.103120 Te\n0.609079 0.256767 0.875469 Te\n0.709433 0.967145 0.408743 Te\n0.290567 0.032855 0.591257 Te\n0.164518 0.522665 0.896880 Te\n0.335482 0.522665 0.396880 Te\n0.840044 0.477072 0.614048 Te\n0.157280 0.982592 0.360087 Te\n0.899160 0.240017 0.885353 Te\n0.390921 0.743233 0.124531 Te\n0.842720 0.017408 0.639913 Te\n0.657280 0.017408 0.139913 Te\n0.209433 0.032855 0.091257 Te\n0.332367 0.989528 0.334904 Te\n0.159956 0.522928 0.385952 Te\n0.100840 0.759983 0.114647 Te\n0.280748 0.474029 0.147207 Te\n0.399160 0.759983 0.614647 Te\n0.600840 0.240017 0.385353 Te\n0.832367 0.010472 0.165096 Te\n0.659956 0.477072 0.114048 Te\n0.969430 0.620037 0.856224 I\n0.034662 0.125441 0.617324 I\n0.530570 0.620037 0.356224 I\n0.465338 0.125441 0.117324 I\n0.469430 0.379963 0.643776 I\n0.534662 0.874559 0.882676 I\n0.030570 0.379963 0.143776 I\n0.965338 0.874559 0.382676 I\n",
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{
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"created_at": "2022-09-04T14:48:13.569640Z",
"structure_string": "K4 Zn4 H4 Cl12\n1.0\n6.665984 0.000000 0.000000\n0.000000 8.987596 0.000000\n0.000000 0.000000 11.820897\nK Zn H Cl\n4 4 4 12\ndirect\n0.189202 0.013487 0.006578 K\n0.310798 0.986513 0.506578 K\n0.810798 0.513487 0.493422 K\n0.689202 0.486513 0.993422 K\n0.266840 0.390866 0.244399 Zn\n0.233160 0.609134 0.744399 Zn\n0.733160 0.890866 0.255601 Zn\n0.766840 0.109134 0.755601 Zn\n0.174141 0.566633 0.273939 H\n0.325859 0.433367 0.773939 H\n0.825859 0.066633 0.226061 H\n0.674141 0.933367 0.726061 H\n0.098676 0.080714 0.746075 Cl\n0.401324 0.919286 0.246075 Cl\n0.901324 0.580714 0.753925 Cl\n0.598676 0.419286 0.253925 Cl\n0.149935 0.364872 0.066874 Cl\n0.350065 0.635128 0.566874 Cl\n0.850065 0.864872 0.433126 Cl\n0.649935 0.135128 0.933126 Cl\n0.107492 0.272660 0.383751 Cl\n0.392508 0.727340 0.883751 Cl\n0.892508 0.772660 0.116249 Cl\n0.607492 0.227340 0.616249 Cl\n",
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{
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"structure_string": "P2 H16 I2 N8\n1.0\n8.502508 0.000000 0.000000\n0.000000 8.502508 0.000000\n0.000000 0.000000 5.222908\nP H I N\n2 16 2 8\ndirect\n0.500000 0.000000 0.500000 P\n0.000000 0.500000 0.500000 P\n0.925363 0.718031 0.268934 H\n0.574637 0.218031 0.268934 H\n0.425363 0.781969 0.268934 H\n0.074637 0.281969 0.268934 H\n0.574637 0.781969 0.731066 H\n0.925363 0.281969 0.731066 H\n0.074637 0.718031 0.731066 H\n0.425363 0.218031 0.731066 H\n0.718031 0.925363 0.731066 H\n0.218031 0.574637 0.731066 H\n0.781969 0.425363 0.731066 H\n0.281969 0.074637 0.731066 H\n0.781969 0.574637 0.268934 H\n0.281969 0.925363 0.268934 H\n0.718031 0.074637 0.268934 H\n0.218031 0.425363 0.268934 H\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000000 I\n0.878983 0.378983 0.646786 N\n0.621017 0.878983 0.646786 N\n0.378983 0.121017 0.646786 N\n0.121017 0.621017 0.646786 N\n0.621017 0.121017 0.353214 N\n0.878983 0.621017 0.353214 N\n0.121017 0.378983 0.353214 N\n0.378983 0.878983 0.353214 N\n",
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{
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"structure_string": "P8 Pb4 O30\n1.0\n7.734883 0.000000 0.000000\n3.537345 9.187813 0.000000\n2.932614 2.811401 9.424565\nP Pb O\n8 4 30\ndirect\n0.593538 0.841307 0.740997 P\n0.406462 0.158693 0.259003 P\n0.210635 0.821314 0.770729 P\n0.789365 0.178686 0.229271 P\n0.369072 0.507107 0.752792 P\n0.630928 0.492893 0.247208 P\n0.736578 0.523549 0.742354 P\n0.263422 0.476451 0.257646 P\n0.712986 0.142491 0.894331 Pb\n0.287014 0.857509 0.105669 Pb\n0.032518 0.740202 0.538026 Pb\n0.967482 0.259798 0.461974 Pb\n0.407728 0.859493 0.685943 O\n0.592272 0.140507 0.314057 O\n0.271147 0.637609 0.834495 O\n0.728853 0.362391 0.165505 O\n0.566211 0.546038 0.668165 O\n0.433789 0.453962 0.331835 O\n0.662408 0.659401 0.815658 O\n0.337592 0.340599 0.184342 O\n0.735891 0.880252 0.605996 O\n0.264109 0.119748 0.394004 O\n0.549145 0.920677 0.850976 O\n0.450855 0.079323 0.149024 O\n0.125718 0.890837 0.890159 O\n0.874282 0.109163 0.109841 O\n0.094577 0.866016 0.656832 O\n0.905423 0.133984 0.343168 O\n0.257020 0.538072 0.640725 O\n0.742980 0.461928 0.359275 O\n0.406641 0.353845 0.857353 O\n0.593359 0.646155 0.142647 O\n0.774305 0.378421 0.857524 O\n0.225695 0.621579 0.142476 O\n0.895938 0.553173 0.618220 O\n0.104062 0.446827 0.381780 O\n0.784510 0.792141 0.267924 O\n0.215490 0.207859 0.732076 O\n0.838549 0.801168 0.141119 O\n0.161451 0.198832 0.858881 O\n0.839541 0.191113 0.661210 O\n0.160459 0.808887 0.338790 O\n",
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