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{
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{
"id": "mp-1223980",
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{
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],
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"formula_full": "Sr1 Mg30 Bi1 O32",
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"spacegroup": 123
},
{
"id": "mp-754428",
"created_at": "2022-09-04T14:40:23.647649Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n-0.000809 -0.009269 5.211477\n9.028555 6.859408 0.012642\n-8.928943 6.726354 -0.036584\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.754580 0.159159 0.075586 Na\n0.754596 0.659212 0.575692 Na\n0.251357 0.378795 0.123505 Na\n0.251324 0.878817 0.623574 Na\n0.754064 0.621994 0.881774 Na\n0.754116 0.121940 0.381676 Na\n0.751861 0.868997 0.127932 Na\n0.751822 0.369074 0.627939 Na\n0.242771 0.839100 0.920821 Na\n0.242783 0.339095 0.420792 Na\n0.212468 0.158955 0.872252 Li\n0.212505 0.658974 0.372231 Li\n0.779023 0.055379 0.699210 Mn\n0.223942 0.944167 0.305414 Mn\n0.779197 0.555239 0.199484 Mn\n0.223749 0.444326 0.805254 Mn\n0.708273 0.329094 0.918652 P\n0.708553 0.828892 0.418702 P\n0.300150 0.668939 0.086776 P\n0.300079 0.168959 0.586695 P\n0.734376 0.403508 0.344860 C\n0.734369 0.903574 0.844813 C\n0.261355 0.592489 0.646598 C\n0.261330 0.092492 0.146629 C\n0.279152 0.158989 0.069105 O\n0.279179 0.658994 0.569117 O\n0.961242 0.431427 0.312552 O\n0.961210 0.931463 0.812550 O\n0.532928 0.450701 0.306078 O\n0.532861 0.950709 0.806017 O\n0.821376 0.197206 0.875730 O\n0.821718 0.696932 0.376187 O\n0.774043 0.378029 0.059075 O\n0.774048 0.878057 0.559110 O\n0.408742 0.324178 0.901311 O\n0.409049 0.823935 0.401251 O\n0.182581 0.595191 0.172163 O\n0.182765 0.095168 0.672069 O\n0.820551 0.411800 0.841486 O\n0.820990 0.911481 0.341511 O\n0.599007 0.661730 0.094401 O\n0.598975 0.161813 0.594305 O\n0.214930 0.617387 0.948691 O\n0.214814 0.117358 0.448638 O\n0.216861 0.806165 0.127163 O\n0.216486 0.306132 0.627076 O\n0.467302 0.554767 0.692395 O\n0.467317 0.054844 0.192430 O\n0.037897 0.561613 0.680917 O\n0.037899 0.061614 0.180915 O\n0.708710 0.830585 0.915439 O\n0.708725 0.330564 0.415449 O\n",
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"elements": [
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],
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"density_atomic": 0.08180266835084687,
"volume": 635.6760854911851,
"volume_molar": 7.361790124218674,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
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},
{
"id": "mp-721049",
"created_at": "2022-09-04T14:40:23.637492Z",
"structure_string": "H64 Rh4 N20 Cl8 O32\n1.0\n8.172918 0.000000 0.000000\n0.000000 10.362460 0.000000\n0.000000 0.000000 15.446019\nH Rh N Cl O\n64 4 20 8 32\ndirect\n0.236119 0.379325 0.497216 H\n0.263881 0.620675 0.997216 H\n0.763881 0.879325 0.002784 H\n0.736119 0.120675 0.502784 H\n0.291837 0.250938 0.442718 H\n0.208163 0.749062 0.942718 H\n0.708163 0.750938 0.057282 H\n0.791837 0.249062 0.557282 H\n0.378193 0.282777 0.536055 H\n0.121807 0.717223 0.036055 H\n0.621807 0.782777 0.963945 H\n0.878193 0.217223 0.463945 H\n0.605332 0.624521 0.534116 H\n0.894668 0.375479 0.034116 H\n0.394668 0.124521 0.965884 H\n0.105332 0.875479 0.465884 H\n0.403435 0.614432 0.533005 H\n0.096565 0.385568 0.033005 H\n0.596565 0.114432 0.966995 H\n0.903435 0.885568 0.466995 H\n0.513035 0.511567 0.588653 H\n0.986965 0.488433 0.088653 H\n0.486965 0.011567 0.911347 H\n0.013035 0.988433 0.411347 H\n0.750806 0.615113 0.410016 H\n0.749194 0.384887 0.910016 H\n0.249194 0.115113 0.089984 H\n0.250806 0.884887 0.589984 H\n0.797688 0.498561 0.343156 H\n0.702312 0.501439 0.843156 H\n0.202312 0.998561 0.156844 H\n0.297688 0.001439 0.656844 H\n0.665975 0.609555 0.314342 H\n0.834025 0.390445 0.814342 H\n0.334025 0.109555 0.185658 H\n0.165975 0.890445 0.685658 H\n0.634171 0.265092 0.311796 H\n0.865829 0.734908 0.811796 H\n0.365829 0.765092 0.188204 H\n0.134171 0.234908 0.688204 H\n0.435748 0.241088 0.320432 H\n0.064252 0.758912 0.820432 H\n0.564252 0.741088 0.179568 H\n0.935748 0.258912 0.679568 H\n0.505224 0.357430 0.257455 H\n0.994776 0.642570 0.757455 H\n0.494776 0.857430 0.242545 H\n0.005224 0.142570 0.742545 H\n0.306508 0.650367 0.375572 H\n0.193492 0.349633 0.875572 H\n0.693492 0.150367 0.124428 H\n0.806508 0.849633 0.624428 H\n0.330520 0.558194 0.290070 H\n0.169480 0.441806 0.790070 H\n0.669480 0.058194 0.209930 H\n0.830520 0.941806 0.709930 H\n0.200014 0.516576 0.364663 H\n0.299986 0.483424 0.864663 H\n0.799986 0.016576 0.135337 H\n0.700014 0.983424 0.635337 H\n0.651508 0.360132 0.466027 H\n0.848492 0.639868 0.966027 H\n0.348492 0.860132 0.033973 H\n0.151508 0.139868 0.533973 H\n0.514544 0.440366 0.421342 Rh\n0.985456 0.559634 0.921342 Rh\n0.485456 0.940366 0.078658 Rh\n0.014544 0.059634 0.578658 Rh\n0.336321 0.324517 0.480283 N\n0.163679 0.675483 0.980283 N\n0.663679 0.824517 0.019717 N\n0.836321 0.175483 0.519717 N\n0.509075 0.561136 0.531178 N\n0.990925 0.438864 0.031178 N\n0.490925 0.061136 0.968822 N\n0.009075 0.938864 0.468822 N\n0.701603 0.553204 0.365382 N\n0.798397 0.446796 0.865382 N\n0.298397 0.053204 0.134618 N\n0.201603 0.946796 0.634618 N\n0.523527 0.311276 0.315349 N\n0.976473 0.688724 0.815349 N\n0.476473 0.811276 0.184651 N\n0.023527 0.188724 0.684651 N\n0.313839 0.556166 0.355706 N\n0.186161 0.443834 0.855706 N\n0.686161 0.056166 0.144294 N\n0.813839 0.943834 0.644294 N\n0.501030 0.429540 0.080701 Cl\n0.998970 0.570460 0.580701 Cl\n0.498970 0.929540 0.419299 Cl\n0.001030 0.070460 0.919299 Cl\n0.495476 0.755338 0.785556 Cl\n0.004524 0.244662 0.285556 Cl\n0.504524 0.255338 0.714444 Cl\n0.995476 0.744662 0.214444 Cl\n0.635298 0.339800 0.060610 O\n0.864702 0.660200 0.560610 O\n0.364702 0.839800 0.439390 O\n0.135298 0.160200 0.939390 O\n0.481453 0.520740 0.009790 O\n0.018547 0.479260 0.509790 O\n0.518547 0.020740 0.490210 O\n0.981453 0.979260 0.990210 O\n0.540253 0.499776 0.160791 O\n0.959747 0.500224 0.660791 O\n0.459747 0.999776 0.339209 O\n0.040253 0.000224 0.839209 O\n0.350604 0.355741 0.093541 O\n0.149396 0.644259 0.593541 O\n0.649396 0.855741 0.406459 O\n0.850604 0.144259 0.906459 O\n0.668291 0.305979 0.695508 O\n0.831709 0.694021 0.195508 O\n0.331709 0.805979 0.804492 O\n0.168291 0.194021 0.304492 O\n0.381691 0.346825 0.680726 O\n0.118309 0.653175 0.180726 O\n0.618309 0.846825 0.819274 O\n0.881691 0.153175 0.319274 O\n0.515628 0.631564 0.830305 O\n0.984372 0.368436 0.330305 O\n0.484372 0.131564 0.669695 O\n0.015628 0.868436 0.169695 O\n0.482416 0.239629 0.806973 O\n0.017584 0.760371 0.306973 O\n0.517584 0.739629 0.693027 O\n0.982416 0.260371 0.193027 O\n",
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{
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"created_at": "2022-09-04T14:40:23.637303Z",
"structure_string": "Mg17 Al11 Tl1\n1.0\n7.477016 5.322350 0.000000\n-7.477016 5.322350 0.000000\n0.000000 5.280191 7.539536\nMg Al Tl\n17 11 1\ndirect\n0.994779 0.994779 0.345161 Mg\n0.602107 0.602107 0.715182 Mg\n0.340539 0.340539 0.663619 Mg\n0.003892 0.003892 0.998437 Mg\n0.304747 0.304747 0.287366 Mg\n0.686029 0.390579 0.998284 Mg\n0.000532 0.683665 0.604617 Mg\n0.599226 0.278670 0.404252 Mg\n0.007593 0.659174 0.994418 Mg\n0.713322 0.317716 0.682620 Mg\n0.397897 0.997637 0.316725 Mg\n0.997637 0.397897 0.316725 Mg\n0.317716 0.713322 0.682620 Mg\n0.659174 0.007593 0.994418 Mg\n0.278670 0.599226 0.404252 Mg\n0.683665 0.000532 0.604617 Mg\n0.390579 0.686029 0.998284 Mg\n0.826975 0.826975 0.797674 Al\n0.366434 0.184739 0.001373 Al\n0.189095 0.002212 0.633140 Al\n0.823709 0.635890 0.371343 Al\n0.366864 0.002931 0.815872 Al\n0.181412 0.816670 0.184882 Al\n0.816670 0.181412 0.184882 Al\n0.002931 0.366864 0.815872 Al\n0.635890 0.823709 0.371343 Al\n0.002212 0.189095 0.633140 Al\n0.184739 0.366434 0.001373 Al\n0.624960 0.624960 0.177514 Tl\n",
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{
"id": "mp-704879",
"created_at": "2022-09-04T14:40:23.637059Z",
"structure_string": "Ni10 Te8 Br4 O24\n1.0\n2.656193 10.232334 0.000000\n-2.656193 10.232334 0.000000\n0.000000 9.416583 13.498219\nNi Te Br O\n10 8 4 24\ndirect\n0.227669 0.791968 0.377777 Ni\n0.791968 0.227669 0.877777 Ni\n0.697702 0.130040 0.471138 Ni\n0.869960 0.302298 0.028862 Ni\n0.208032 0.772331 0.122223 Ni\n0.130040 0.697702 0.971138 Ni\n0.302298 0.869960 0.528862 Ni\n0.772331 0.208032 0.622223 Ni\n0.247024 0.752976 0.750000 Ni\n0.752976 0.247024 0.250000 Ni\n0.805133 0.438469 0.363781 Te\n0.140263 0.572758 0.379957 Te\n0.859737 0.427242 0.620043 Te\n0.572758 0.140263 0.879957 Te\n0.427242 0.859737 0.120043 Te\n0.194867 0.561531 0.636219 Te\n0.438469 0.805133 0.863781 Te\n0.561531 0.194867 0.136219 Te\n0.933112 0.541483 0.901459 Br\n0.458517 0.066888 0.598541 Br\n0.066888 0.458517 0.098541 Br\n0.541483 0.933112 0.401459 Br\n0.052927 0.763771 0.517682 O\n0.763771 0.052927 0.017682 O\n0.690058 0.448973 0.930102 O\n0.930472 0.919889 0.354647 O\n0.448496 0.776724 0.249299 O\n0.223276 0.551504 0.250701 O\n0.919889 0.930472 0.854647 O\n0.947073 0.236229 0.482318 O\n0.236229 0.947073 0.982318 O\n0.433907 0.440812 0.869306 O\n0.448973 0.690058 0.430102 O\n0.873031 0.205879 0.356548 O\n0.080111 0.069528 0.145353 O\n0.440812 0.433907 0.369306 O\n0.566093 0.559188 0.130694 O\n0.205879 0.873031 0.856548 O\n0.126969 0.794121 0.643452 O\n0.776724 0.448496 0.749299 O\n0.794121 0.126969 0.143452 O\n0.559188 0.566093 0.630694 O\n0.551027 0.309942 0.569898 O\n0.551504 0.223276 0.750701 O\n0.309942 0.551027 0.069898 O\n0.069528 0.080111 0.645353 O\n",
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