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{
"id": "mp-866635",
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"structure_string": "Cu4 H12 N4 Cl4\n1.0\n-4.177998 4.177998 4.177998\n4.177998 -4.177998 4.177998\n4.177998 4.177998 -4.177998\nCu H N Cl\n4 12 4 4\ndirect\n0.762558 0.762558 0.762558 Cu\n0.000000 0.737442 0.500000 Cu\n0.500000 0.000000 0.737442 Cu\n0.737442 0.500000 0.000000 Cu\n0.035765 0.172110 0.028063 H\n0.464235 0.492298 0.136346 H\n0.327890 0.363654 0.855952 H\n0.363654 0.855952 0.327890 H\n0.644048 0.007702 0.471937 H\n0.471937 0.644048 0.007702 H\n0.492298 0.136346 0.464235 H\n0.007702 0.471937 0.644048 H\n0.028063 0.035765 0.172110 H\n0.855952 0.327890 0.363654 H\n0.136346 0.464235 0.492298 H\n0.172110 0.028063 0.035765 H\n0.000000 0.473733 0.500000 N\n0.026267 0.026267 0.026267 N\n0.473733 0.500000 0.000000 N\n0.500000 0.000000 0.473733 N\n0.469696 0.469696 0.469696 Cl\n0.030304 0.500000 0.000000 Cl\n0.000000 0.030304 0.500000 Cl\n0.500000 0.000000 0.030304 Cl\n",
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{
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{
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"structure_string": "Li2 V4 P10 O32\n1.0\n6.815726 0.000000 0.000000\n0.000000 5.082187 0.000000\n0.000000 0.073088 18.860856\nLi V P O\n2 4 10 32\ndirect\n0.348470 0.729652 0.529241 Li\n0.651530 0.729652 0.029241 Li\n0.817679 0.732780 0.592943 V\n0.182321 0.732780 0.092943 V\n0.821161 0.258371 0.906904 V\n0.178839 0.258371 0.406904 V\n0.526413 0.250066 0.630472 P\n0.473587 0.250066 0.130472 P\n0.534454 0.747177 0.869763 P\n0.873685 0.227444 0.079621 P\n0.465546 0.747177 0.369763 P\n0.258724 0.009066 0.249606 P\n0.741276 0.009066 0.749606 P\n0.871302 0.772255 0.422325 P\n0.126315 0.227444 0.579621 P\n0.128698 0.772255 0.922325 P\n0.151207 0.851058 0.194680 O\n0.944774 0.053838 0.430208 O\n0.597123 0.216425 0.711005 O\n0.391299 0.036580 0.083765 O\n0.962220 0.392148 0.611114 O\n0.848793 0.851058 0.694680 O\n0.037780 0.392148 0.111114 O\n0.608701 0.036580 0.583765 O\n0.589575 0.816343 0.789083 O\n0.364394 0.929012 0.422511 O\n0.296315 0.218886 0.641038 O\n0.306379 0.798252 0.864550 O\n0.635606 0.929012 0.922511 O\n0.858687 0.158348 0.802703 O\n0.410425 0.816343 0.289083 O\n0.558448 0.533198 0.607960 O\n0.920062 0.935064 0.069033 O\n0.017463 0.584415 0.389222 O\n0.982537 0.584415 0.889222 O\n0.221616 0.358539 0.514162 O\n0.079938 0.935064 0.569033 O\n0.428118 0.458452 0.382445 O\n0.055226 0.053838 0.930208 O\n0.773499 0.673929 0.490672 O\n0.703685 0.218886 0.141038 O\n0.226501 0.673929 0.990672 O\n0.141313 0.158348 0.302703 O\n0.402877 0.216425 0.211005 O\n0.778384 0.358539 0.014162 O\n0.693621 0.798252 0.364550 O\n0.441552 0.533198 0.107960 O\n0.571882 0.458452 0.882445 O\n",
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{
"id": "mp-766019",
"created_at": "2022-09-04T14:42:57.195278Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n-1.296795 2.058908 4.728018\n-0.765003 6.160596 -0.024696\n-8.278554 0.048755 -0.116355\nLi Ni C O\n4 2 4 12\ndirect\n0.969735 0.466681 0.830298 Li\n0.537911 0.970767 0.651042 Li\n0.125959 0.001310 0.361692 Li\n0.313321 0.384028 0.142783 Li\n0.000177 0.980683 0.999094 Ni\n0.628042 0.501658 0.496213 Ni\n0.390382 0.592851 0.793261 C\n0.900691 0.084722 0.715523 C\n0.626685 0.927703 0.283466 C\n0.778422 0.393683 0.202363 C\n0.258262 0.632989 0.946479 O\n0.741603 0.015465 0.834020 O\n0.634982 0.604588 0.735990 O\n0.120426 0.099527 0.751601 O\n0.281676 0.538999 0.687558 O\n0.838635 0.135355 0.568725 O\n0.529702 0.859391 0.434226 O\n0.888360 0.906569 0.242455 O\n0.953338 0.406138 0.283110 O\n0.522848 0.443871 0.283365 O\n0.459228 0.015420 0.181952 O\n0.858750 0.330309 0.048828 O\n",
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{
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"created_at": "2022-09-04T14:45:01.903158Z",
"structure_string": "As4 Se4 S12 N20 F24\n1.0\n6.851991 0.000000 0.000000\n0.000000 12.169957 0.000000\n0.000000 1.227111 13.089218\nAs Se S N F\n4 4 12 20 24\ndirect\n0.074317 0.996252 0.398149 As\n0.148879 0.494595 0.904591 As\n0.851121 0.494595 0.404591 As\n0.925683 0.996252 0.898149 As\n0.660334 0.866069 0.224876 Se\n0.657490 0.126135 0.579868 Se\n0.342510 0.126135 0.079868 Se\n0.339666 0.866069 0.724876 Se\n0.184014 0.687303 0.603268 S\n0.339131 0.290017 0.519895 S\n0.660869 0.290017 0.019895 S\n0.657513 0.702070 0.787933 S\n0.184832 0.303745 0.203084 S\n0.422120 0.761347 0.077234 S\n0.342487 0.702070 0.287933 S\n0.422814 0.228755 0.730115 S\n0.577186 0.228755 0.230115 S\n0.815168 0.303745 0.703084 S\n0.815986 0.687303 0.103268 S\n0.577880 0.761347 0.577234 S\n0.489029 0.777770 0.819823 N\n0.497362 0.212051 0.985966 N\n0.609890 0.316283 0.752315 N\n0.503597 0.875725 0.613238 N\n0.148378 0.767683 0.686872 N\n0.684997 0.311710 0.134575 N\n0.496403 0.875725 0.113238 N\n0.503945 0.114977 0.192503 N\n0.688527 0.680710 0.673573 N\n0.390110 0.316283 0.252315 N\n0.510971 0.777770 0.319823 N\n0.153524 0.226768 0.116263 N\n0.608361 0.672617 0.057358 N\n0.391639 0.672617 0.557358 N\n0.311473 0.680710 0.173573 N\n0.502638 0.212051 0.485966 N\n0.315003 0.311710 0.634575 N\n0.496055 0.114977 0.692503 N\n0.846476 0.226768 0.616263 N\n0.851622 0.767683 0.186872 N\n0.937705 0.849956 0.917697 F\n0.065877 0.988382 0.263488 F\n0.648150 0.470135 0.488045 F\n0.919463 0.142642 0.878069 F\n0.850074 0.636105 0.426704 F\n0.351850 0.470135 0.988045 F\n0.062295 0.849956 0.417697 F\n0.934123 0.988382 0.763488 F\n0.331457 0.990826 0.396001 F\n0.668543 0.990826 0.896001 F\n0.690327 0.523818 0.299206 F\n0.080537 0.142642 0.378069 F\n0.012505 0.467043 0.510160 F\n0.309673 0.523818 0.799206 F\n0.923121 0.004633 0.032559 F\n0.944967 0.517331 0.821329 F\n0.853443 0.353053 0.382577 F\n0.149926 0.636105 0.926704 F\n0.076879 0.004633 0.532559 F\n0.987495 0.467043 0.010160 F\n0.186303 0.001595 0.900165 F\n0.055033 0.517331 0.321329 F\n0.146557 0.353053 0.882577 F\n0.813697 0.001595 0.400165 F\n",
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{
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"structure_string": "Na12 Li12 Al8 F48\n1.0\n-6.159396 6.159396 6.159396\n6.159396 -6.159396 6.159396\n6.159396 6.159396 -6.159396\nNa Li Al F\n12 12 8 48\ndirect\n0.875000 0.750000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.250000 0.875000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.750000 0.625000 0.875000 Na\n0.125000 0.250000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.750000 0.125000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.250000 0.375000 0.125000 Na\n0.375000 0.125000 0.250000 Na\n0.625000 0.375000 0.250000 Li\n0.250000 0.125000 0.875000 Li\n0.750000 0.875000 0.125000 Li\n0.125000 0.750000 0.875000 Li\n0.375000 0.250000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.875000 0.250000 0.125000 Li\n0.625000 0.750000 0.375000 Li\n0.750000 0.375000 0.625000 Li\n0.375000 0.625000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.625000 0.375000 Li\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.485950 0.388709 0.317454 F\n0.902759 0.388709 0.571255 F\n0.014050 0.182546 0.111291 F\n0.597241 0.168496 0.485950 F\n0.571255 0.902759 0.388709 F\n0.014050 0.331504 0.902759 F\n0.928745 0.111291 0.597241 F\n0.388709 0.317454 0.485950 F\n0.182546 0.111291 0.014050 F\n0.317454 0.331504 0.928745 F\n0.928745 0.317454 0.331504 F\n0.388709 0.571255 0.902759 F\n0.182546 0.571255 0.168496 F\n0.168496 0.485950 0.597241 F\n0.168496 0.182546 0.571255 F\n0.111291 0.014050 0.182546 F\n0.571255 0.168496 0.182546 F\n0.485950 0.597241 0.168496 F\n0.597241 0.928745 0.111291 F\n0.331504 0.902759 0.014050 F\n0.668496 0.071255 0.682546 F\n0.097241 0.985950 0.668496 F\n0.682546 0.514050 0.611291 F\n0.611291 0.682546 0.514050 F\n0.888709 0.402759 0.071255 F\n0.071255 0.888709 0.402759 F\n0.985950 0.668496 0.097241 F\n0.428745 0.097241 0.611291 F\n0.402759 0.831504 0.514050 F\n0.985950 0.817454 0.888709 F\n0.097241 0.611291 0.428745 F\n0.514050 0.402759 0.831504 F\n0.817454 0.888709 0.985950 F\n0.682546 0.668496 0.071255 F\n0.071255 0.682546 0.668496 F\n0.611291 0.428745 0.097241 F\n0.817454 0.428745 0.831504 F\n0.831504 0.514050 0.402759 F\n0.831504 0.817454 0.428745 F\n0.888709 0.985950 0.817454 F\n0.428745 0.831504 0.817454 F\n0.402759 0.071255 0.888709 F\n0.668496 0.097241 0.985950 F\n0.514050 0.611291 0.682546 F\n0.331504 0.928745 0.317454 F\n0.902759 0.014050 0.331504 F\n0.317454 0.485950 0.388709 F\n0.111291 0.597241 0.928745 F\n",
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"formula_full": "Na12 Li12 Al8 F48",
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{
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"structure_string": "K3 Th1\n1.0\n0.000000 4.788496 4.788496\n4.788496 0.000000 4.788496\n4.788496 4.788496 0.000000\nK Th\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Th\n",
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{
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