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{
"id": "mp-1212801",
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"structure_string": "Rb4 Be2 Ni4 F28\n1.0\n-6.035779 0.000000 1.082960\n-0.892601 0.000000 -9.034424\n0.000000 -12.833455 0.000000\nRb Be Ni F\n4 2 4 28\ndirect\n0.786125 0.654647 0.184230 Rb\n0.213875 0.345353 0.815770 Rb\n0.213875 0.845353 0.684230 Rb\n0.786125 0.154647 0.315770 Rb\n0.500000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Be\n0.746462 0.614530 0.869422 Ni\n0.253538 0.385470 0.130578 Ni\n0.253538 0.885470 0.369422 Ni\n0.746462 0.114530 0.630578 Ni\n0.480084 0.627858 0.814965 F\n0.519916 0.372142 0.185035 F\n0.519916 0.872142 0.314965 F\n0.480084 0.127858 0.685035 F\n0.749920 0.945226 0.559470 F\n0.250080 0.054774 0.440530 F\n0.250080 0.554774 0.059470 F\n0.749920 0.445226 0.940530 F\n0.328327 0.914644 0.912222 F\n0.671673 0.085356 0.087778 F\n0.671673 0.585356 0.412222 F\n0.328327 0.414644 0.587778 F\n0.835619 0.754225 0.966035 F\n0.164381 0.245775 0.033965 F\n0.164381 0.745775 0.466035 F\n0.835619 0.254225 0.533965 F\n0.520090 0.648842 0.578753 F\n0.479910 0.351158 0.421247 F\n0.479910 0.851158 0.078753 F\n0.520090 0.148842 0.921247 F\n0.714697 0.963243 0.918710 F\n0.285303 0.036757 0.081290 F\n0.285303 0.536757 0.418710 F\n0.714697 0.463243 0.581290 F\n0.953518 0.612612 0.770738 F\n0.046482 0.387388 0.229262 F\n0.046482 0.887388 0.270738 F\n0.953518 0.112612 0.729262 F\n",
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{
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"structure_string": "Sc4 As8 H16 N4 O28\n1.0\n10.744852 0.000000 0.000000\n0.000000 8.547881 0.000000\n0.000000 3.792497 8.943151\nSc As H N O\n4 8 16 4 28\ndirect\n0.142566 0.223170 0.738769 Sc\n0.642566 0.776830 0.761231 Sc\n0.857434 0.776830 0.261231 Sc\n0.357434 0.223170 0.238769 Sc\n0.440933 0.172514 0.614943 As\n0.940933 0.827486 0.885057 As\n0.559067 0.827486 0.385057 As\n0.059067 0.172514 0.114943 As\n0.112755 0.420429 0.326405 As\n0.612755 0.579571 0.173595 As\n0.887245 0.579571 0.673595 As\n0.387245 0.420429 0.826405 As\n0.059014 0.965405 0.660652 H\n0.559014 0.034595 0.839348 H\n0.940986 0.034595 0.339348 H\n0.440986 0.965405 0.160652 H\n0.304891 0.994551 0.516443 H\n0.804891 0.005449 0.983557 H\n0.695109 0.005449 0.483557 H\n0.195109 0.994551 0.016443 H\n0.063317 0.647101 0.383038 H\n0.563317 0.352899 0.116962 H\n0.936683 0.352899 0.616962 H\n0.436683 0.647101 0.883038 H\n0.199011 0.686412 0.682252 H\n0.699011 0.313588 0.817748 H\n0.800989 0.313588 0.317748 H\n0.300989 0.686412 0.182252 H\n0.194738 0.815985 0.613682 N\n0.694738 0.184015 0.886318 N\n0.805262 0.184015 0.386318 N\n0.305262 0.815985 0.113682 N\n0.123756 0.072921 0.973735 O\n0.623756 0.927079 0.526265 O\n0.876244 0.927079 0.026265 O\n0.376244 0.072921 0.473735 O\n0.093458 0.338443 0.515218 O\n0.593458 0.661557 0.984782 O\n0.906542 0.661557 0.484782 O\n0.406542 0.338443 0.015218 O\n0.023777 0.013572 0.729917 O\n0.523777 0.986428 0.770083 O\n0.976223 0.986428 0.270083 O\n0.476223 0.013572 0.229917 O\n0.297885 0.128908 0.708803 O\n0.797885 0.871092 0.791197 O\n0.702115 0.871092 0.291197 O\n0.202115 0.128908 0.208803 O\n0.931974 0.359285 0.716788 O\n0.431974 0.640715 0.783212 O\n0.068026 0.640715 0.283212 O\n0.568026 0.359285 0.216788 O\n0.234758 0.424427 0.773090 O\n0.734758 0.575573 0.726910 O\n0.765242 0.575573 0.226910 O\n0.265242 0.424427 0.273090 O\n0.010466 0.348605 0.232276 O\n0.510466 0.651395 0.267724 O\n0.989534 0.651395 0.767724 O\n0.489534 0.348605 0.732276 O\n",
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"updated_at": "2021-11-28T01:36:37.922000Z",
"spacegroup": 14
},
{
"id": "mp-757472",
"created_at": "2022-09-04T14:48:13.705940Z",
"structure_string": "Li14 Mn14 P16 O68\n1.0\n20.042785 0.000000 0.000000\n0.000000 8.187548 0.000000\n0.000000 3.394032 9.437336\nLi Mn P O\n14 14 16 68\ndirect\n0.000000 0.000000 0.500000 Li\n0.375134 0.757363 0.891610 Li\n0.500000 0.000000 0.000000 Li\n0.124866 0.757363 0.391610 Li\n0.931280 0.484824 0.824654 Li\n0.247849 0.543115 0.692361 Li\n0.747849 0.456885 0.807639 Li\n0.568720 0.484824 0.324654 Li\n0.431280 0.515176 0.675346 Li\n0.252151 0.543115 0.192361 Li\n0.752151 0.456885 0.307639 Li\n0.068720 0.515176 0.175346 Li\n0.875134 0.242637 0.608390 Li\n0.624866 0.242637 0.108390 Li\n0.665134 0.008829 0.925561 Mn\n0.086181 0.886929 0.900328 Mn\n0.834866 0.008829 0.425561 Mn\n0.413819 0.886929 0.400328 Mn\n0.638304 0.721815 0.777309 Mn\n0.861696 0.721815 0.277309 Mn\n0.000000 0.500000 0.500000 Mn\n0.138304 0.278185 0.722691 Mn\n0.500000 0.500000 0.000000 Mn\n0.361696 0.278185 0.222691 Mn\n0.586181 0.113071 0.599672 Mn\n0.165134 0.991171 0.574439 Mn\n0.913819 0.113071 0.099672 Mn\n0.334866 0.991171 0.074439 Mn\n0.732868 0.040425 0.645756 P\n0.491985 0.831962 0.688374 P\n0.767132 0.040425 0.145756 P\n0.079361 0.636815 0.713260 P\n0.853301 0.637964 0.572411 P\n0.008015 0.831962 0.188374 P\n0.420639 0.636815 0.213260 P\n0.353301 0.362036 0.927589 P\n0.646699 0.637964 0.072411 P\n0.579361 0.363185 0.786740 P\n0.991985 0.168038 0.811626 P\n0.146699 0.362036 0.427589 P\n0.920639 0.363185 0.286740 P\n0.232868 0.959575 0.854244 P\n0.508015 0.168038 0.311626 P\n0.267132 0.959575 0.354244 P\n0.300047 0.891600 0.934269 O\n0.178082 0.843996 0.953320 O\n0.614912 0.945931 0.788332 O\n0.237234 0.915042 0.714241 O\n0.495223 0.032719 0.642418 O\n0.199953 0.891600 0.434269 O\n0.321918 0.843996 0.453320 O\n0.701184 0.669263 0.955357 O\n0.885088 0.945931 0.288332 O\n0.878656 0.813922 0.579774 O\n0.262766 0.915042 0.214241 O\n0.004777 0.032719 0.142418 O\n0.723909 0.847721 0.665478 O\n0.087898 0.811030 0.588054 O\n0.069637 0.658248 0.856965 O\n0.470917 0.760089 0.844916 O\n0.560918 0.765176 0.653833 O\n0.438367 0.771616 0.602128 O\n0.591244 0.555812 0.002590 O\n0.798816 0.669263 0.455357 O\n0.013748 0.555776 0.677740 O\n0.621344 0.813922 0.079774 O\n0.776091 0.847721 0.165478 O\n0.412102 0.811030 0.088054 O\n0.430363 0.658248 0.356965 O\n0.029083 0.760089 0.344916 O\n0.939082 0.765176 0.153833 O\n0.061633 0.771616 0.102128 O\n0.908756 0.555812 0.502590 O\n0.336505 0.490860 0.780965 O\n0.644239 0.476881 0.782034 O\n0.144239 0.523119 0.717966 O\n0.836505 0.509140 0.719035 O\n0.513748 0.444224 0.822260 O\n0.486252 0.555776 0.177740 O\n0.163495 0.490860 0.280965 O\n0.855761 0.476881 0.282034 O\n0.355761 0.523119 0.217966 O\n0.663495 0.509140 0.219035 O\n0.091244 0.444188 0.497410 O\n0.938367 0.228384 0.897872 O\n0.060918 0.234824 0.846167 O\n0.970917 0.239911 0.655084 O\n0.569637 0.341752 0.643035 O\n0.587898 0.188970 0.911946 O\n0.223909 0.152279 0.834522 O\n0.378656 0.186078 0.920226 O\n0.986252 0.444224 0.322260 O\n0.201184 0.330737 0.544643 O\n0.408756 0.444188 0.997410 O\n0.561633 0.228384 0.397872 O\n0.439082 0.234824 0.346167 O\n0.529083 0.239911 0.155084 O\n0.930363 0.341752 0.143035 O\n0.912102 0.188970 0.411946 O\n0.276091 0.152279 0.334522 O\n0.995223 0.967281 0.857582 O\n0.737234 0.084958 0.785759 O\n0.121344 0.186078 0.420226 O\n0.114912 0.054069 0.711668 O\n0.298816 0.330737 0.044643 O\n0.678082 0.156004 0.546680 O\n0.800047 0.108400 0.565731 O\n0.504777 0.967281 0.357582 O\n0.762766 0.084958 0.285759 O\n0.385088 0.054069 0.211668 O\n0.821918 0.156004 0.046680 O\n0.699953 0.108400 0.065731 O\n",
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{
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"structure_string": "Li4 Cr4 P4 H8 O20\n1.0\n7.293283 0.000000 0.000000\n0.000000 6.057264 0.000000\n0.000000 0.723442 9.840383\nLi Cr P H O\n4 4 4 8 20\ndirect\n0.440339 0.421245 0.350645 Li\n0.059661 0.921245 0.350645 Li\n0.940339 0.078755 0.649355 Li\n0.559661 0.578755 0.649355 Li\n0.194436 0.208401 0.012653 Cr\n0.305564 0.708401 0.012653 Cr\n0.694436 0.291599 0.987347 Cr\n0.805564 0.791599 0.987347 Cr\n0.528389 0.003986 0.201760 P\n0.971611 0.503986 0.201760 P\n0.028389 0.496014 0.798240 P\n0.471611 0.996014 0.798240 P\n0.733018 0.144358 0.415617 H\n0.895856 0.310136 0.442028 H\n0.766982 0.644358 0.415617 H\n0.604144 0.810136 0.442028 H\n0.395856 0.189864 0.557972 H\n0.233018 0.355642 0.584383 H\n0.104144 0.689864 0.557972 H\n0.266982 0.855642 0.584383 H\n0.455100 0.191838 0.092121 O\n0.044900 0.691838 0.092121 O\n0.774232 0.453537 0.153395 O\n0.725768 0.953537 0.153395 O\n0.103069 0.302431 0.197613 O\n0.396931 0.802431 0.197613 O\n0.529151 0.095596 0.341672 O\n0.970849 0.595596 0.341672 O\n0.855786 0.155276 0.459924 O\n0.644214 0.655276 0.459924 O\n0.355786 0.344724 0.540076 O\n0.144214 0.844724 0.540076 O\n0.029151 0.404404 0.658328 O\n0.470849 0.904404 0.658328 O\n0.603069 0.197569 0.802387 O\n0.896931 0.697569 0.802387 O\n0.274232 0.046463 0.846605 O\n0.225768 0.546463 0.846605 O\n0.955100 0.308162 0.907879 O\n0.544900 0.808162 0.907879 O\n",
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{
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"structure_string": "Na6 Ti2 F16\n1.0\n3.665185 -6.944249 0.000000\n3.665185 6.944249 0.000000\n0.000000 0.000000 6.676435\nNa Ti F\n6 2 16\ndirect\n0.319504 0.680496 0.750000 Na\n0.680496 0.319504 0.250000 Na\n0.355042 0.155976 0.750000 Na\n0.155976 0.355042 0.250000 Na\n0.644958 0.844024 0.250000 Na\n0.844024 0.644958 0.750000 Na\n0.853509 0.146491 0.750000 Ti\n0.146491 0.853509 0.250000 Ti\n0.766358 0.871912 0.750000 F\n0.871912 0.766358 0.250000 F\n0.233642 0.128088 0.250000 F\n0.128088 0.233642 0.750000 F\n0.569820 0.051280 0.750000 F\n0.051280 0.569820 0.250000 F\n0.430180 0.948720 0.250000 F\n0.948720 0.430180 0.750000 F\n0.849994 0.150006 0.036304 F\n0.150006 0.849994 0.963696 F\n0.849994 0.150006 0.463696 F\n0.150006 0.849994 0.536304 F\n0.572360 0.427640 0.974942 F\n0.427640 0.572360 0.025058 F\n0.572360 0.427640 0.525058 F\n0.427640 0.572360 0.474942 F\n",
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