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{
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{
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"formula_full": "Li5 Mn3 P4 O16",
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{
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"structure_string": "Cs2 Na1 Li1 F6\n1.0\n0.000000 4.416457 4.416457\n4.416457 0.000000 4.416457\n4.416457 4.416457 0.000000\nCs Na Li F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.234991 0.765009 0.765009 F\n0.234991 0.765009 0.234991 F\n0.765009 0.234991 0.765009 F\n0.765009 0.765009 0.234991 F\n0.234991 0.234991 0.765009 F\n0.765009 0.234991 0.234991 F\n",
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"formula_full": "Cs2 Na1 Li1 F6",
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{
"id": "mp-1245457",
"created_at": "2022-09-04T14:46:55.322462Z",
"structure_string": "Cr10 Ge4 N12\n1.0\n5.923791 0.446473 -0.244562\n-2.937846 4.689165 0.000000\n-2.746316 -1.720617 9.837775\nCr Ge N\n10 4 12\ndirect\n0.023831 0.842206 0.923405 Cr\n0.976169 0.818375 0.576595 Cr\n0.976169 0.157794 0.076595 Cr\n0.023831 0.181625 0.423405 Cr\n0.436410 0.276155 0.679808 Cr\n0.563590 0.839745 0.820192 Cr\n0.563590 0.723845 0.320192 Cr\n0.436410 0.160255 0.179808 Cr\n0.000000 0.342580 0.750000 Cr\n0.000000 0.657420 0.250000 Cr\n0.494128 0.718496 0.562434 Ge\n0.505872 0.224367 0.937566 Ge\n0.505872 0.281504 0.437566 Ge\n0.494128 0.775633 0.062434 Ge\n0.064761 0.193745 0.610994 N\n0.935239 0.128984 0.889006 N\n0.935239 0.806255 0.389006 N\n0.064761 0.871016 0.110994 N\n0.347206 0.896410 0.642671 N\n0.652794 0.549204 0.857329 N\n0.652794 0.103590 0.357329 N\n0.347206 0.450796 0.142671 N\n0.773520 0.443698 0.627872 N\n0.226480 0.670178 0.872128 N\n0.226480 0.556302 0.372128 N\n0.773520 0.329822 0.127872 N\n",
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"density": 5.766760843199495,
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{
"id": "mp-1187436",
"created_at": "2022-09-04T14:46:55.323989Z",
"structure_string": "Ti2 Cu1 Re1\n1.0\n0.000000 3.100487 3.100487\n3.100487 0.000000 3.100487\n3.100487 3.100487 0.000000\nTi Cu Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Re\n",
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{
"id": "mp-1518216",
"created_at": "2022-09-04T14:46:55.338941Z",
"structure_string": "K4 Ca4 Ce4 Bi4 O24\n1.0\n8.549238 0.000000 0.000000\n0.000000 8.528393 0.000000\n0.000000 0.000000 8.456467\nK Ca Ce Bi O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n-0.000000 0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.250000 Ce\n0.750000 0.250000 0.750000 Ce\n0.250000 0.750000 0.750000 Ce\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.993438 0.207464 0.304016 O\n0.006562 0.792536 0.304016 O\n0.006562 0.207464 0.695984 O\n0.993438 0.792536 0.695984 O\n0.273901 0.996536 0.286167 O\n0.273901 0.003464 0.713833 O\n0.726099 0.003464 0.286167 O\n0.726099 0.996536 0.713833 O\n0.196848 0.202234 0.993451 O\n0.803152 0.202234 0.006549 O\n0.196848 0.797766 0.006549 O\n0.803152 0.797766 0.993451 O\n0.506562 0.292536 0.195984 O\n0.493438 0.707464 0.195984 O\n0.493438 0.292536 0.804016 O\n0.506562 0.707464 0.804016 O\n0.226099 0.503464 0.213833 O\n0.226099 0.496536 0.786167 O\n0.773901 0.496536 0.213833 O\n0.773901 0.503464 0.786167 O\n0.303152 0.297766 0.506549 O\n0.696848 0.297766 0.493451 O\n0.303152 0.702234 0.493451 O\n0.696848 0.702234 0.506549 O\n",
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{
"id": "mp-1097707",
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"structure_string": "Cu96 Se48\n1.0\n12.634543 0.000065 0.000108\n0.000012 12.400662 -6.082667\n0.000132 0.056012 15.654067\nCu Se\n96 48\ndirect\n0.458023 0.647177 0.828237 Cu\n0.393152 0.956621 0.143080 Cu\n0.290838 0.751525 0.025496 Cu\n0.041920 0.147172 0.828250 Cu\n0.554142 0.324663 0.685505 Cu\n0.592166 0.716598 0.992039 Cu\n0.849004 0.560611 0.057245 Cu\n0.668818 0.995067 0.552740 Cu\n0.417352 0.720305 0.496953 Cu\n0.750482 0.923224 0.140397 Cu\n0.290745 0.574822 0.214654 Cu\n0.731736 0.213705 0.637582 Cu\n0.248979 0.856529 0.779386 Cu\n0.397529 0.951485 0.612288 Cu\n0.573717 0.838656 0.900049 Cu\n0.860532 0.061539 0.074662 Cu\n0.650986 0.060614 0.057231 Cu\n0.698862 0.361175 0.282882 Cu\n0.092175 0.783419 0.007971 Cu\n0.784144 0.229144 0.477424 Cu\n0.261770 0.920179 0.271204 Cu\n0.941059 0.075297 0.390988 Cu\n0.954350 0.328011 0.702841 Cu\n0.407767 0.693960 0.132918 Cu\n0.582648 0.279695 0.503047 Cu\n0.768265 0.713708 0.637568 Cu\n0.150996 0.439389 0.942755 Cu\n0.215856 0.770856 0.522576 Cu\n0.168832 0.504937 0.447263 Cu\n0.386386 0.159459 0.621698 Cu\n0.748981 0.643465 0.220593 Cu\n0.790749 0.925178 0.785344 Cu\n0.426283 0.161344 0.099951 Cu\n0.751021 0.143471 0.220614 Cu\n0.268264 0.786295 0.362418 Cu\n0.238240 0.420189 0.271203 Cu\n0.558944 0.575297 0.390996 Cu\n0.250482 0.576773 0.859605 Cu\n0.369994 0.484950 0.419195 Cu\n0.092234 0.193958 0.132917 Cu\n0.869993 0.015053 0.580805 Cu\n0.541977 0.352823 0.171763 Cu\n0.761760 0.579811 0.728797 Cu\n0.749518 0.423227 0.140395 Cu\n0.432611 0.112700 0.777291 Cu\n0.231735 0.286292 0.362432 Cu\n0.445858 0.675337 0.314496 Cu\n0.790842 0.748483 0.974514 Cu\n0.926332 0.338636 0.900075 Cu\n0.639468 0.561534 0.074662 Cu\n0.407834 0.283402 0.007961 Cu\n0.630006 0.515050 0.580805 Cu\n0.567389 0.887300 0.222709 Cu\n0.082660 0.220294 0.496944 Cu\n0.738230 0.079821 0.728796 Cu\n0.592233 0.306040 0.867082 Cu\n0.045650 0.671989 0.297159 Cu\n0.054138 0.175338 0.314490 Cu\n0.113616 0.659452 0.621696 Cu\n0.349014 0.939386 0.942769 Cu\n0.893162 0.543368 0.856916 Cu\n0.545649 0.828013 0.702835 Cu\n0.907825 0.216581 0.992029 Cu\n0.945862 0.824662 0.685511 Cu\n0.067428 0.612648 0.777259 Cu\n0.606848 0.043379 0.856920 Cu\n0.602471 0.048515 0.387712 Cu\n0.331182 0.004933 0.447260 Cu\n0.715856 0.729144 0.477423 Cu\n0.709162 0.248475 0.974504 Cu\n0.917340 0.779706 0.503056 Cu\n0.209158 0.251517 0.025486 Cu\n0.209251 0.074822 0.214656 Cu\n0.284144 0.270856 0.522577 Cu\n0.613614 0.840541 0.378302 Cu\n0.454351 0.171987 0.297165 Cu\n0.106838 0.456632 0.143084 Cu\n0.958080 0.852828 0.171750 Cu\n0.198859 0.138832 0.717134 Cu\n0.441056 0.424703 0.609004 Cu\n0.102508 0.451425 0.612242 Cu\n0.907766 0.806042 0.867083 Cu\n0.058941 0.924703 0.609012 Cu\n0.251019 0.356535 0.779407 Cu\n0.301138 0.638825 0.717118 Cu\n0.932572 0.387352 0.222741 Cu\n0.831168 0.495063 0.552737 Cu\n0.249518 0.076776 0.859603 Cu\n0.709255 0.425178 0.785346 Cu\n0.360532 0.438466 0.925338 Cu\n0.130007 0.984947 0.419195 Cu\n0.897492 0.548575 0.387758 Cu\n0.139468 0.938461 0.925338 Cu\n0.886384 0.340548 0.378304 Cu\n0.073668 0.661364 0.099925 Cu\n0.801141 0.861168 0.282866 Cu\n0.570450 0.908096 0.069980 Se\n0.210240 0.132347 0.556053 Se\n0.561890 0.141177 0.553881 Se\n0.081570 0.293167 0.795226 Se\n0.710240 0.367651 0.443949 Se\n0.418425 0.793187 0.795228 Se\n0.771130 0.076300 0.945682 Se\n0.232603 0.726720 0.192786 Se\n0.573075 0.987065 0.688930 Se\n0.573226 0.711127 0.212662 Se\n0.070450 0.591909 0.930013 Se\n0.734814 0.542803 0.312456 Se\n0.429550 0.091904 0.930020 Se\n0.079786 0.987935 0.274179 Se\n0.926934 0.487059 0.688923 Se\n0.080655 0.114337 0.960903 Se\n0.073231 0.788854 0.787337 Se\n0.089551 0.828150 0.441374 Se\n0.410448 0.328150 0.441374 Se\n0.228870 0.923700 0.054318 Se\n0.918430 0.706833 0.204774 Se\n0.234819 0.957202 0.687543 Se\n0.728875 0.576308 0.945684 Se\n0.267384 0.226727 0.192794 Se\n0.919345 0.885663 0.039097 Se\n0.920214 0.012065 0.725821 Se\n0.579776 0.512070 0.725827 Se\n0.061886 0.358820 0.446106 Se\n0.073066 0.512941 0.311077 Se\n0.589552 0.671850 0.558626 Se\n0.438110 0.858823 0.446119 Se\n0.926769 0.211146 0.212663 Se\n0.929550 0.408091 0.069987 Se\n0.910449 0.171850 0.558626 Se\n0.271125 0.423692 0.054316 Se\n0.580652 0.385660 0.039103 Se\n0.426774 0.288873 0.787338 Se\n0.420224 0.487930 0.274173 Se\n0.426925 0.012935 0.311070 Se\n0.419348 0.614340 0.960897 Se\n0.789760 0.867653 0.443947 Se\n0.938114 0.641180 0.553894 Se\n0.767397 0.273280 0.807214 Se\n0.265186 0.457197 0.687544 Se\n0.732616 0.773273 0.807206 Se\n0.289760 0.632349 0.556051 Se\n0.765181 0.042798 0.312457 Se\n0.581575 0.206813 0.204772 Se\n",
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"spacegroup": 14
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{
"id": "mp-1185152",
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"structure_string": "La3 Tb1\n1.0\n-2.618651 2.618651 5.282662\n2.618651 -2.618651 5.282662\n2.618651 2.618651 -5.282662\nLa Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Tb\n",
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{
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{
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{
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