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{
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{
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{
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{
"id": "mp-1040283",
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"structure_string": "K1 Na1 Mg30 O31\n1.0\n8.569253 0.000000 0.000000\n0.000000 8.642636 0.000000\n0.000000 0.000000 8.656965\nK Na Mg O\n1 1 30 31\ndirect\n0.994230 0.000000 0.000000 K\n0.995441 0.000000 0.500000 Na\n0.998417 0.500000 0.000000 Mg\n0.995333 0.500000 0.500000 Mg\n0.500006 0.000000 0.000000 Mg\n0.516235 0.000000 0.500000 Mg\n0.501115 0.500000 0.000000 Mg\n0.502783 0.500000 0.500000 Mg\n0.001152 0.249487 0.252946 Mg\n0.001152 0.249487 0.747054 Mg\n0.001152 0.750513 0.252946 Mg\n0.001152 0.750513 0.747054 Mg\n0.499441 0.249153 0.250637 Mg\n0.499441 0.249153 0.749363 Mg\n0.499441 0.750847 0.250637 Mg\n0.499441 0.750847 0.749363 Mg\n0.247715 0.000000 0.227356 Mg\n0.247715 0.000000 0.772644 Mg\n0.249011 0.500000 0.246679 Mg\n0.249011 0.500000 0.753321 Mg\n0.753373 0.000000 0.252770 Mg\n0.753373 0.000000 0.747230 Mg\n0.751099 0.500000 0.249227 Mg\n0.751099 0.500000 0.750773 Mg\n0.249727 0.254778 0.000000 Mg\n0.246384 0.272728 0.500000 Mg\n0.249727 0.745222 0.000000 Mg\n0.246384 0.727272 0.500000 Mg\n0.749322 0.251462 0.000000 Mg\n0.755177 0.248346 0.500000 Mg\n0.749322 0.748538 0.000000 Mg\n0.755177 0.751654 0.500000 Mg\n0.273684 0.000000 0.000000 O\n0.255595 0.500000 0.000000 O\n0.255238 0.500000 0.500000 O\n0.723346 0.000000 0.000000 O\n0.741242 0.000000 0.500000 O\n0.744936 0.500000 0.000000 O\n0.745312 0.500000 0.500000 O\n0.250821 0.246629 0.254994 O\n0.250821 0.246629 0.745006 O\n0.250821 0.753371 0.254994 O\n0.250821 0.753371 0.745006 O\n0.749658 0.247946 0.251236 O\n0.749658 0.247946 0.748764 O\n0.749658 0.752054 0.251236 O\n0.749658 0.752054 0.748764 O\n0.012891 0.000000 0.265144 O\n0.012891 0.000000 0.734856 O\n0.001166 0.500000 0.253064 O\n0.001166 0.500000 0.746936 O\n0.490403 0.000000 0.261255 O\n0.490403 0.000000 0.738745 O\n0.499050 0.500000 0.252500 O\n0.499050 0.500000 0.747500 O\n0.002234 0.273914 0.000000 O\n0.003951 0.264843 0.500000 O\n0.002234 0.726086 0.000000 O\n0.003951 0.735157 0.500000 O\n0.498062 0.253430 0.000000 O\n0.491830 0.245289 0.500000 O\n0.498062 0.746570 0.000000 O\n0.491830 0.754711 0.500000 O\n",
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{
"id": "mp-776274",
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"structure_string": "Na10 Bi4 As2 C8 O32\n1.0\n0.000000 7.378279 7.498955\n7.342587 0.000000 7.498955\n7.342587 7.378279 0.000000\nNa Bi As C O\n10 4 2 8 32\ndirect\n0.553808 0.946192 0.553808 Na\n0.694943 0.305057 0.305057 Na\n0.305551 0.694449 0.305551 Na\n0.553621 0.553621 0.946379 Na\n0.946379 0.946379 0.553621 Na\n0.946458 0.553542 0.553542 Na\n0.305057 0.694943 0.694943 Na\n0.946192 0.553808 0.946192 Na\n0.553542 0.946458 0.946458 Na\n0.694449 0.305551 0.694449 Na\n0.130247 0.128977 0.116683 Bi\n0.624093 0.116683 0.128977 Bi\n0.116683 0.624093 0.130247 Bi\n0.128977 0.130247 0.624093 Bi\n0.750000 0.750000 0.750000 As\n0.500000 0.500000 0.500000 As\n0.342831 0.965074 0.344508 C\n0.344508 0.347587 0.342831 C\n0.347587 0.344508 0.965074 C\n0.965074 0.342831 0.347587 C\n0.906260 0.907403 0.291088 C\n0.291088 0.895249 0.906260 C\n0.895249 0.291088 0.907403 C\n0.907403 0.906260 0.895249 C\n0.920902 0.024291 0.289557 O\n0.334896 0.961997 0.475325 O\n0.475325 0.227782 0.334896 O\n0.765250 0.289557 0.024291 O\n0.222386 0.338855 0.466095 O\n0.682715 0.682971 0.951759 O\n0.951759 0.682556 0.682715 O\n0.336419 0.477464 0.224808 O\n0.224808 0.961309 0.336419 O\n0.477464 0.336419 0.961309 O\n0.961309 0.224808 0.477464 O\n0.682556 0.951759 0.682971 O\n0.682971 0.682715 0.682556 O\n0.023813 0.774814 0.292724 O\n0.292724 0.908648 0.023813 O\n0.972664 0.466095 0.338855 O\n0.289557 0.765250 0.920902 O\n0.961997 0.334896 0.227782 O\n0.227782 0.475325 0.961997 O\n0.583964 0.297486 0.559172 O\n0.559172 0.559378 0.583964 O\n0.294295 0.009286 0.775444 O\n0.775444 0.920975 0.294295 O\n0.009286 0.294295 0.920975 O\n0.920975 0.775444 0.009286 O\n0.297486 0.583964 0.559378 O\n0.559378 0.559172 0.297486 O\n0.024291 0.920902 0.765250 O\n0.466095 0.972664 0.222386 O\n0.774814 0.023813 0.908648 O\n0.908648 0.292724 0.774814 O\n0.338855 0.222386 0.972664 O\n",
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{
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"structure_string": "Ca6 B15 H6 Cl3 O30\n1.0\n6.335008 0.000000 0.000000\n-3.157346 -5.739251 0.000000\n-3.159373 0.379872 -17.407258\nCa B H Cl O\n6 15 6 3 30\ndirect\n0.996786 0.996636 0.001413 Ca\n0.535262 0.566967 0.815414 Ca\n0.338021 0.005825 0.667178 Ca\n0.301644 0.429821 0.484310 Ca\n0.655876 0.974895 0.334654 Ca\n0.185699 0.530817 0.154258 Ca\n0.523419 0.002522 0.959216 B\n0.195925 0.895722 0.849432 B\n0.620430 0.118311 0.825975 B\n0.921719 0.045798 0.775403 B\n0.020520 0.450792 0.818440 B\n0.860951 0.010964 0.625777 B\n0.633281 0.106140 0.516215 B\n0.834635 0.881754 0.492926 B\n0.203258 0.944941 0.442189 B\n0.900970 0.546897 0.486343 B\n0.169032 0.961499 0.292620 B\n0.842688 0.856719 0.182167 B\n0.268304 0.078850 0.160507 B\n0.571120 0.011422 0.109223 B\n0.668348 0.412046 0.154318 B\n0.009632 0.467063 0.988834 H\n0.282196 0.508854 0.996432 H\n0.879816 0.560031 0.665137 H\n0.062783 0.478809 0.646637 H\n0.646043 0.425252 0.319575 H\n0.922631 0.493752 0.319613 H\n0.646710 0.530567 0.974109 Cl\n0.466663 0.480858 0.649649 Cl\n0.309931 0.496708 0.318518 Cl\n0.679004 0.050693 0.906271 O\n0.627749 0.993194 0.033016 O\n0.282202 0.949307 0.935337 O\n0.203276 0.673021 0.836080 O\n0.957369 0.879650 0.829462 O\n0.372647 0.077763 0.806570 O\n0.777645 0.376661 0.819137 O\n0.664826 0.991558 0.770032 O\n0.094852 0.293820 0.802778 O\n0.970832 0.013221 0.699580 O\n0.969840 0.967811 0.571866 O\n0.672135 0.063002 0.602500 O\n0.624207 0.917429 0.473588 O\n0.408669 0.118901 0.496516 O\n0.861404 0.325617 0.502502 O\n0.999786 0.998348 0.436301 O\n0.733603 0.622210 0.488201 O\n0.280165 0.967126 0.366535 O\n0.130177 0.700474 0.469760 O\n0.319140 0.997709 0.239099 O\n0.927728 0.908797 0.268884 O\n0.851105 0.636737 0.167790 O\n0.603594 0.839736 0.161573 O\n0.021356 0.041720 0.140866 O\n0.427450 0.338115 0.157795 O\n0.314485 0.959084 0.102862 O\n0.744094 0.255509 0.139908 O\n0.129147 0.422955 0.017633 O\n0.051403 0.611582 0.663169 O\n0.766188 0.368556 0.329041 O\n",
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"formula_full": "Ca6 B15 H6 Cl3 O30",
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"spacegroup": 1
},
{
"id": "mp-1194458",
"created_at": "2022-09-04T14:41:31.190263Z",
"structure_string": "Ti6 Ga16 Ni7\n1.0\n0.000000 5.929776 5.929776\n5.929776 0.000000 5.929776\n5.929776 5.929776 0.000000\nTi Ga Ni\n6 16 7\ndirect\n0.688853 0.688853 0.311147 Ti\n0.311147 0.688853 0.311147 Ti\n0.688853 0.311147 0.311147 Ti\n0.311147 0.311147 0.688853 Ti\n0.688853 0.311147 0.688853 Ti\n0.311147 0.688853 0.688853 Ti\n0.878983 0.878983 0.363051 Ga\n0.878983 0.363051 0.878983 Ga\n0.363051 0.878983 0.878983 Ga\n0.878983 0.878983 0.878983 Ga\n0.121017 0.121017 0.636949 Ga\n0.121017 0.636949 0.121017 Ga\n0.636949 0.121017 0.121017 Ga\n0.121017 0.121017 0.121017 Ga\n0.656480 0.656480 0.030559 Ga\n0.656480 0.030559 0.656480 Ga\n0.030559 0.656480 0.656480 Ga\n0.656480 0.656480 0.656480 Ga\n0.343520 0.343520 0.969441 Ga\n0.343520 0.969441 0.343520 Ga\n0.969441 0.343520 0.343520 Ga\n0.343520 0.343520 0.343520 Ga\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n",
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"volume": 417.00845415963965,
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"formula_full": "Ti6 Ga16 Ni7",
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"spacegroup": 225
},
{
"id": "mp-11625",
"created_at": "2022-09-04T14:41:29.217167Z",
"structure_string": "K2 Ca2 P6 O18\n1.0\n3.460881 -5.994421 0.000000\n3.460881 5.994421 0.000000\n0.000000 0.000000 10.497721\nK Ca P O\n2 2 6 18\ndirect\n0.666667 0.333333 0.500000 K\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.500000 Ca\n0.333333 0.666667 0.000000 Ca\n0.732012 0.771326 0.250000 P\n0.228674 0.960686 0.250000 P\n0.039314 0.267988 0.250000 P\n0.039314 0.771326 0.750000 P\n0.228674 0.267988 0.750000 P\n0.732012 0.960686 0.750000 P\n0.053438 0.385542 0.372731 O\n0.614458 0.946562 0.627269 O\n0.614458 0.667896 0.372731 O\n0.332104 0.946562 0.372731 O\n0.614458 0.667896 0.127269 O\n0.332104 0.946562 0.127269 O\n0.053438 0.385542 0.127269 O\n0.332104 0.385542 0.872731 O\n0.053438 0.667896 0.872731 O\n0.053438 0.667896 0.627269 O\n0.807252 0.774080 0.750000 O\n0.966827 0.192748 0.750000 O\n0.225920 0.033173 0.750000 O\n0.225920 0.192748 0.250000 O\n0.966827 0.774080 0.250000 O\n0.807252 0.033173 0.250000 O\n0.614458 0.946562 0.872731 O\n0.332104 0.385542 0.627269 O\n",
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],
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]
}