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{
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"structure_string": "K4 Pr2 Nb10 O30\n1.0\n12.793864 0.000000 0.000000\n0.000000 12.793864 0.000000\n0.000000 0.000000 3.968605\nK Pr Nb O\n4 2 10 30\ndirect\n0.670143 0.170143 0.500000 K\n0.329857 0.829857 0.500000 K\n0.170143 0.329857 0.500000 K\n0.829857 0.670143 0.500000 K\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Pr\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.213453 0.076667 0.000000 Nb\n0.786547 0.923333 0.000000 Nb\n0.076667 0.786547 0.000000 Nb\n0.713453 0.423333 0.000000 Nb\n0.923333 0.213453 0.000000 Nb\n0.286547 0.576667 0.000000 Nb\n0.576667 0.713453 0.000000 Nb\n0.423333 0.286547 0.000000 Nb\n0.191278 0.079595 0.500000 O\n0.808722 0.920405 0.500000 O\n0.079595 0.808722 0.500000 O\n0.691278 0.420405 0.500000 O\n0.920405 0.191278 0.500000 O\n0.308722 0.579595 0.500000 O\n0.579595 0.691278 0.500000 O\n0.420405 0.308722 0.500000 O\n0.217562 0.717562 0.000000 O\n0.782438 0.282438 0.000000 O\n0.717562 0.782438 0.000000 O\n0.282438 0.217562 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.058743 0.132211 0.000000 O\n0.941257 0.867789 0.000000 O\n0.132211 0.941257 0.000000 O\n0.558743 0.367789 0.000000 O\n0.867789 0.058743 0.000000 O\n0.441257 0.632211 0.000000 O\n0.632211 0.558743 0.000000 O\n0.367789 0.441257 0.000000 O\n0.342719 0.999497 0.000000 O\n0.657281 0.000503 0.000000 O\n0.999497 0.657281 0.000000 O\n0.842719 0.500503 0.000000 O\n0.000503 0.342719 0.000000 O\n0.157281 0.499497 0.000000 O\n0.499497 0.842719 0.000000 O\n0.500503 0.157281 0.000000 O\n",
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{
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"structure_string": "Pr4 Ru4 O14\n1.0\n0.000000 5.261226 5.261226\n5.261226 0.000000 5.261226\n5.261226 5.261226 0.000000\nPr Ru O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Pr\n0.625000 0.125000 0.625000 Pr\n0.125000 0.625000 0.625000 Pr\n0.625000 0.625000 0.625000 Pr\n0.125000 0.125000 0.625000 Ru\n0.125000 0.625000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.125000 0.125000 Ru\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.045901 0.454099 0.045901 O\n0.795901 0.204099 0.795901 O\n0.045901 0.045901 0.454099 O\n0.454099 0.045901 0.045901 O\n0.045901 0.454099 0.454099 O\n0.454099 0.454099 0.045901 O\n0.454099 0.045901 0.454099 O\n0.204099 0.795901 0.795901 O\n0.795901 0.204099 0.204099 O\n0.204099 0.795901 0.204099 O\n0.795901 0.795901 0.204099 O\n0.204099 0.204099 0.795901 O\n",
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"formula_full": "Pr4 Ru4 O14",
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},
{
"id": "mp-30213",
"created_at": "2022-09-04T14:39:28.064997Z",
"structure_string": "Sb8 Br4 F60\n1.0\n14.872297 0.000000 0.000000\n0.000000 5.376980 0.000000\n0.000000 0.508598 14.579855\nSb Br F\n8 4 60\ndirect\n0.646534 0.251653 0.013852 Sb\n0.146534 0.748347 0.486148 Sb\n0.353466 0.748347 0.986148 Sb\n0.853466 0.251653 0.513852 Sb\n0.853309 0.534647 0.850621 Sb\n0.353309 0.465353 0.649379 Sb\n0.146691 0.465353 0.149379 Sb\n0.646691 0.534647 0.350621 Sb\n0.651356 0.915254 0.685347 Br\n0.151356 0.084746 0.814653 Br\n0.348644 0.084746 0.314653 Br\n0.848644 0.915254 0.185347 Br\n0.575059 0.045582 0.607277 F\n0.075059 0.954418 0.892723 F\n0.424941 0.954418 0.392723 F\n0.924941 0.045582 0.107277 F\n0.569632 0.789712 0.758504 F\n0.069632 0.210288 0.741496 F\n0.430368 0.210288 0.241496 F\n0.930368 0.789712 0.258504 F\n0.644543 0.635848 0.621737 F\n0.144543 0.364152 0.878263 F\n0.355457 0.364152 0.378263 F\n0.855457 0.635848 0.121737 F\n0.559549 0.668146 0.268774 F\n0.059549 0.331854 0.231226 F\n0.440451 0.331854 0.731226 F\n0.940451 0.668146 0.768774 F\n0.746539 0.697982 0.283674 F\n0.246539 0.302018 0.216326 F\n0.253461 0.302018 0.716326 F\n0.753461 0.697982 0.783674 F\n0.644396 0.810381 0.427414 F\n0.144396 0.189619 0.072586 F\n0.355604 0.189619 0.572586 F\n0.855604 0.810381 0.927414 F\n0.564401 0.355691 0.426747 F\n0.064401 0.644309 0.073253 F\n0.435599 0.644309 0.573253 F\n0.935599 0.355691 0.926747 F\n0.669005 0.250706 0.280798 F\n0.169005 0.749294 0.219202 F\n0.330995 0.749294 0.719202 F\n0.830995 0.250706 0.780798 F\n0.746225 0.398452 0.437278 F\n0.246225 0.601548 0.062722 F\n0.253775 0.601548 0.562722 F\n0.753775 0.398452 0.937278 F\n0.942215 0.105346 0.590298 F\n0.442215 0.894654 0.909702 F\n0.057785 0.894654 0.409702 F\n0.557785 0.105346 0.090298 F\n0.837172 0.534930 0.585152 F\n0.337172 0.465070 0.914848 F\n0.162828 0.465070 0.414848 F\n0.662828 0.534930 0.085152 F\n0.929408 0.422021 0.429315 F\n0.429408 0.577979 0.070685 F\n0.070592 0.577979 0.570685 F\n0.570592 0.422021 0.929315 F\n0.842017 0.976711 0.437641 F\n0.342017 0.023289 0.062359 F\n0.157983 0.023289 0.562359 F\n0.657983 0.976711 0.937641 F\n0.755510 0.096112 0.588725 F\n0.255510 0.903888 0.911275 F\n0.244490 0.903888 0.411275 F\n0.744490 0.096112 0.088725 F\n0.857580 0.197347 0.247001 F\n0.357580 0.802653 0.252999 F\n0.142420 0.802653 0.752999 F\n0.642420 0.197347 0.747001 F\n",
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"volume": 1165.9224791999038,
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"formula_full": "Sb8 Br4 F60",
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"spacegroup": 14
},
{
"id": "mp-25233",
"created_at": "2022-09-04T14:39:28.133530Z",
"structure_string": "V4 O10\n1.0\n1.804558 -5.416957 0.000000\n1.804558 5.416957 0.000000\n0.000000 0.000000 11.535495\nV O\n4 10\ndirect\n0.704968 0.295032 0.602814 V\n0.295032 0.704968 0.397186 V\n0.295032 0.704968 0.102814 V\n0.704968 0.295032 0.897186 V\n0.763371 0.236629 0.750000 O\n0.557470 0.442530 0.614851 O\n0.249380 0.750620 0.568465 O\n0.750620 0.249380 0.431535 O\n0.442530 0.557470 0.385149 O\n0.236629 0.763371 0.250000 O\n0.442530 0.557470 0.114851 O\n0.557470 0.442530 0.885149 O\n0.750620 0.249380 0.068465 O\n0.249380 0.750620 0.931535 O\n",
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],
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"volume": 225.5238434473975,
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"formula_full": "V4 O10",
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},
{
"id": "mp-1197061",
"created_at": "2022-09-04T14:39:20.983800Z",
"structure_string": "Nd8 Si4 S20\n1.0\n0.000000 -8.212626 0.000000\n-8.597192 0.000000 1.044182\n-0.881028 0.000000 -12.142737\nNd Si S\n8 4 20\ndirect\n0.427055 0.504755 0.660958 Nd\n0.927055 0.495245 0.839042 Nd\n0.572945 0.495245 0.339042 Nd\n0.072945 0.504755 0.160958 Nd\n0.425615 0.743984 0.007489 Nd\n0.925615 0.256016 0.492511 Nd\n0.574385 0.256016 0.992511 Nd\n0.074385 0.743984 0.507489 Nd\n0.216088 0.040103 0.215471 Si\n0.716088 0.959897 0.284529 Si\n0.783912 0.959897 0.784529 Si\n0.283912 0.040103 0.715471 Si\n0.591308 0.526076 0.867735 S\n0.091308 0.473924 0.632265 S\n0.408692 0.473924 0.132265 S\n0.908692 0.526076 0.367735 S\n0.798870 0.946369 0.443423 S\n0.298870 0.053631 0.056577 S\n0.201130 0.053631 0.556577 S\n0.701130 0.946369 0.943423 S\n0.669294 0.758987 0.192962 S\n0.169294 0.241013 0.307038 S\n0.330706 0.241013 0.807038 S\n0.830706 0.758987 0.692962 S\n0.099512 0.679699 0.979732 S\n0.599512 0.320301 0.520268 S\n0.900488 0.320301 0.020268 S\n0.400488 0.679699 0.479732 S\n0.330049 0.826985 0.771453 S\n0.830049 0.173015 0.728547 S\n0.669951 0.173015 0.228547 S\n0.169951 0.826985 0.271453 S\n",
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{
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"structure_string": "Mg2 H4\n1.0\n4.511893 0.000000 0.000000\n0.000000 4.511893 0.000000\n0.000000 0.000000 3.015723\nMg H\n2 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.695920 0.695920 0.000000 H\n0.195920 0.804080 0.500000 H\n0.304080 0.304080 0.000000 H\n0.804080 0.195920 0.500000 H\n",
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{
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"structure_string": "La4 Ga4 O12\n1.0\n5.546311 0.000000 0.000000\n0.000000 5.594213 0.000000\n0.000000 0.000000 7.850523\nLa Ga O\n4 4 12\ndirect\n0.495158 0.508078 0.750000 La\n0.995158 0.991922 0.750000 La\n0.004842 0.008078 0.250000 La\n0.504842 0.491922 0.250000 La\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.744435 0.745772 0.544458 O\n0.499120 0.918730 0.250000 O\n0.000880 0.418730 0.750000 O\n0.255565 0.254228 0.455542 O\n0.500880 0.081270 0.750000 O\n0.244435 0.754228 0.955542 O\n0.244435 0.754228 0.544458 O\n0.755565 0.245772 0.455542 O\n0.999120 0.581270 0.250000 O\n0.744435 0.745772 0.955542 O\n0.255565 0.254228 0.044458 O\n0.755565 0.245772 0.044458 O\n",
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{
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"structure_string": "Cs8 Co8 P8 O32\n1.0\n0.000000 5.563542 0.000000\n-0.000354 0.000000 9.515912\n18.727050 0.000000 -0.121090\nCs Co P O\n8 8 8 32\ndirect\n0.257045 0.206627 0.503998 Cs\n0.757045 0.793373 0.996002 Cs\n0.742955 0.793373 0.496002 Cs\n0.242955 0.206627 0.003998 Cs\n0.767074 0.690141 0.749593 Cs\n0.267074 0.309859 0.750407 Cs\n0.232926 0.309859 0.250407 Cs\n0.732926 0.690141 0.249593 Cs\n0.242941 0.583801 0.587995 Co\n0.742941 0.416199 0.912005 Co\n0.757059 0.416199 0.412005 Co\n0.257059 0.583801 0.087995 Co\n0.775183 0.089091 0.667449 Co\n0.275183 0.910909 0.832551 Co\n0.224817 0.910909 0.332551 Co\n0.724817 0.089091 0.167449 Co\n0.745271 0.417284 0.596617 P\n0.245271 0.582716 0.903383 P\n0.254729 0.582716 0.403383 P\n0.754729 0.417284 0.096617 P\n0.773043 0.093527 0.845770 P\n0.273043 0.906473 0.654230 P\n0.226957 0.906473 0.154230 P\n0.726957 0.093527 0.345770 P\n0.249997 0.560899 0.484441 O\n0.749997 0.439101 0.015559 O\n0.750003 0.439101 0.515559 O\n0.250003 0.560899 0.984441 O\n0.293003 0.741224 0.387735 O\n0.793003 0.258776 0.112265 O\n0.706997 0.258776 0.612265 O\n0.206997 0.741224 0.887735 O\n0.463404 0.495316 0.369051 O\n0.963404 0.504684 0.130949 O\n0.536596 0.504684 0.630949 O\n0.036596 0.495316 0.869051 O\n0.485207 0.530247 0.868715 O\n0.985207 0.469753 0.631285 O\n0.514793 0.469753 0.131285 O\n0.014793 0.530247 0.368715 O\n0.752021 0.147414 0.767737 O\n0.252021 0.852586 0.732263 O\n0.247979 0.852586 0.232263 O\n0.747979 0.147414 0.267737 O\n0.303678 0.786493 0.102679 O\n0.803678 0.213507 0.397321 O\n0.696322 0.213507 0.897321 O\n0.196322 0.786493 0.602679 O\n0.605701 0.964475 0.858785 O\n0.105701 0.035525 0.641215 O\n0.394299 0.035525 0.141215 O\n0.894299 0.964475 0.358785 O\n0.036519 0.051538 0.863344 O\n0.536519 0.948462 0.636656 O\n0.963481 0.948462 0.136656 O\n0.463481 0.051538 0.363344 O\n",
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{
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"structure_string": "Mg14 Fe1 Co1 O16\n1.0\n8.552620 0.000000 0.000000\n0.000000 8.520552 0.000000\n0.000000 0.000000 4.273251\nMg Fe Co O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.255828 0.500000 Mg\n0.000000 0.744172 0.500000 Mg\n0.500000 0.251472 0.500000 Mg\n0.500000 0.748528 0.500000 Mg\n0.251934 0.000000 0.500000 Mg\n0.247763 0.500000 0.500000 Mg\n0.748066 0.000000 0.500000 Mg\n0.752237 0.500000 0.500000 Mg\n0.249778 0.253539 0.000000 Mg\n0.249778 0.746461 0.000000 Mg\n0.750222 0.253539 0.000000 Mg\n0.750222 0.746461 -0.000000 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Co\n0.249778 0.000000 0.000000 O\n0.258345 0.500000 0.000000 O\n0.750222 0.000000 0.000000 O\n0.741655 0.500000 0.000000 O\n0.248926 0.248959 0.500000 O\n0.248926 0.751041 0.500000 O\n0.751074 0.248959 0.500000 O\n0.751074 0.751041 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.240065 -0.000000 O\n0.000000 0.759935 0.000000 O\n0.500000 0.247746 0.000000 O\n0.500000 0.752254 -0.000000 O\n",
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}