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{
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{
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{
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{
"id": "mp-849799",
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"structure_string": "Ca4 P12 H64 N12 O48\n1.0\n18.870687 0.000000 0.000000\n0.000000 7.004287 0.000000\n0.000000 4.784191 10.680461\nCa P H N O\n4 12 64 12 48\ndirect\n0.317817 0.591357 0.508505 Ca\n0.817817 0.408643 0.991495 Ca\n0.182183 0.591357 0.008505 Ca\n0.682183 0.408643 0.491495 Ca\n0.822775 0.379521 0.703499 P\n0.965950 0.443852 0.783841 P\n0.465950 0.556148 0.716159 P\n0.209360 0.029228 0.084349 P\n0.322775 0.620479 0.796501 P\n0.709360 0.970772 0.415651 P\n0.290640 0.029228 0.584349 P\n0.677225 0.379521 0.203499 P\n0.790640 0.970772 0.915651 P\n0.534050 0.443852 0.283841 P\n0.034050 0.556148 0.216159 P\n0.177225 0.620479 0.296501 P\n0.366751 0.152166 0.850443 H\n0.588982 0.303304 0.735485 H\n0.102993 0.293296 0.747028 H\n0.186824 0.401265 0.736301 H\n0.829069 0.846192 0.162833 H\n0.336674 0.821093 0.229847 H\n0.824893 0.788790 0.316290 H\n0.514432 0.794459 0.323789 H\n0.340401 0.033695 0.002777 H\n0.975974 0.765620 0.431557 H\n0.586194 0.059063 0.054805 H\n0.488043 0.768181 0.467247 H\n0.009922 0.987284 0.143827 H\n0.574486 0.825429 0.421246 H\n0.686824 0.598735 0.763699 H\n0.670460 0.086381 0.093782 H\n0.503631 0.256106 0.934645 H\n0.003631 0.743894 0.565355 H\n0.170460 0.913619 0.406218 H\n0.602993 0.706704 0.752972 H\n0.088982 0.696696 0.764515 H\n0.074486 0.174571 0.078754 H\n0.509922 0.012716 0.356173 H\n0.988043 0.231819 0.032753 H\n0.086194 0.940937 0.445195 H\n0.866751 0.847834 0.649557 H\n0.475974 0.234380 0.068443 H\n0.670931 0.846192 0.662833 H\n0.840401 0.966305 0.497223 H\n0.163326 0.821093 0.729847 H\n0.675107 0.788790 0.816290 H\n0.014432 0.205541 0.176211 H\n0.985568 0.794459 0.823789 H\n0.324893 0.211210 0.183710 H\n0.836674 0.178907 0.270153 H\n0.159599 0.033695 0.502777 H\n0.329069 0.153808 0.337167 H\n0.524026 0.765620 0.931557 H\n0.133249 0.152166 0.350443 H\n0.913806 0.059063 0.554805 H\n0.011957 0.768181 0.967247 H\n0.490078 0.987284 0.643827 H\n0.925514 0.825429 0.921246 H\n0.911018 0.303304 0.235485 H\n0.397007 0.293296 0.247028 H\n0.829540 0.086381 0.593782 H\n0.996369 0.256106 0.434645 H\n0.496369 0.743894 0.065355 H\n0.329540 0.913619 0.906218 H\n0.313176 0.401265 0.236301 H\n0.425514 0.174571 0.578754 H\n0.990078 0.012716 0.856173 H\n0.511957 0.231819 0.532753 H\n0.413806 0.940937 0.945195 H\n0.024026 0.234380 0.568443 H\n0.659599 0.966305 0.997223 H\n0.485568 0.205541 0.676211 H\n0.175107 0.211210 0.683710 H\n0.663326 0.178907 0.770153 H\n0.170931 0.153808 0.837167 H\n0.813176 0.598735 0.263699 H\n0.897007 0.706704 0.252972 H\n0.411018 0.696696 0.264515 H\n0.633249 0.847834 0.149557 H\n0.158238 0.268656 0.748589 N\n0.636861 0.987608 0.073779 N\n0.521748 0.851857 0.392693 N\n0.021748 0.148143 0.107307 N\n0.658238 0.731344 0.751411 N\n0.136861 0.012392 0.426221 N\n0.863139 0.987608 0.573779 N\n0.341762 0.268656 0.248589 N\n0.978252 0.851857 0.892693 N\n0.478252 0.148143 0.607307 N\n0.363139 0.012392 0.926221 N\n0.841762 0.731344 0.251411 N\n0.015258 0.272007 0.783876 O\n0.500103 0.336919 0.772444 O\n0.205027 0.598180 0.422226 O\n0.364190 0.712475 0.298345 O\n0.902606 0.467035 0.679998 O\n0.429382 0.606926 0.590561 O\n0.783329 0.479463 0.777392 O\n0.283329 0.520537 0.722608 O\n0.167207 0.868352 0.212512 O\n0.929382 0.393074 0.909439 O\n0.670045 0.765890 0.443985 O\n0.800312 0.056465 0.015473 O\n0.402606 0.532965 0.820002 O\n0.287826 0.032901 0.120821 O\n0.000103 0.663081 0.727556 O\n0.514746 0.200988 0.025361 O\n0.014746 0.799012 0.474639 O\n0.515258 0.727993 0.716124 O\n0.294973 0.598180 0.922226 O\n0.787826 0.967099 0.379179 O\n0.135810 0.712475 0.798345 O\n0.300312 0.943535 0.484527 O\n0.170045 0.234110 0.056015 O\n0.667207 0.131648 0.287488 O\n0.332793 0.868352 0.712512 O\n0.829955 0.765890 0.943985 O\n0.699688 0.056465 0.515473 O\n0.864190 0.287525 0.201655 O\n0.212174 0.032901 0.620821 O\n0.705027 0.401820 0.077774 O\n0.484742 0.272007 0.283876 O\n0.985254 0.200988 0.525361 O\n0.485254 0.799012 0.974639 O\n0.999897 0.336919 0.272444 O\n0.712174 0.967099 0.879179 O\n0.597394 0.467035 0.179998 O\n0.199688 0.943535 0.984527 O\n0.329955 0.234110 0.556015 O\n0.070618 0.606926 0.090561 O\n0.832793 0.131648 0.787488 O\n0.716671 0.479463 0.277392 O\n0.216671 0.520537 0.222608 O\n0.570618 0.393074 0.409439 O\n0.097394 0.532965 0.320002 O\n0.635810 0.287525 0.701655 O\n0.794973 0.401820 0.577774 O\n0.499897 0.663081 0.227556 O\n0.984742 0.727993 0.216124 O\n",
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"formula_full": "Ca4 P12 H64 N12 O48",
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{
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"structure_string": "Sn4 Bi4 O14\n1.0\n0.000000 5.372203 5.372203\n5.372203 0.000000 5.372203\n5.372203 5.372203 0.000000\nSn Bi O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Sn\n0.625000 0.125000 0.625000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.625000 0.625000 Sn\n0.125000 0.125000 0.625000 Bi\n0.125000 0.625000 0.125000 Bi\n0.625000 0.125000 0.125000 Bi\n0.125000 0.125000 0.125000 Bi\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.957363 0.542637 0.957363 O\n0.707363 0.292637 0.707363 O\n0.957363 0.957363 0.542637 O\n0.542637 0.957363 0.957363 O\n0.957363 0.542637 0.542637 O\n0.542637 0.542637 0.957363 O\n0.542637 0.957363 0.542637 O\n0.292637 0.707363 0.707363 O\n0.707363 0.292637 0.292637 O\n0.292637 0.707363 0.292637 O\n0.707363 0.707363 0.292637 O\n0.292637 0.292637 0.707363 O\n",
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{
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{
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"structure_string": "Na4 Bi2 As2 C2 O14\n1.0\n7.265042 0.000000 0.000000\n0.000000 5.450849 0.000000\n0.000000 0.357945 9.532081\nNa Bi As C O\n4 2 2 2 14\ndirect\n0.008993 0.232480 0.789840 Na\n0.491007 0.232480 0.789840 Na\n0.508993 0.767520 0.210160 Na\n0.991007 0.767520 0.210160 Na\n0.750000 0.782266 0.630934 Bi\n0.250000 0.217734 0.369066 Bi\n0.250000 0.717796 0.598872 As\n0.750000 0.282204 0.401128 As\n0.750000 0.726506 0.921747 C\n0.250000 0.273494 0.078253 C\n0.250000 0.287026 0.946508 O\n0.750000 0.942098 0.850680 O\n0.750000 0.532378 0.842906 O\n0.060815 0.849302 0.674267 O\n0.439185 0.849302 0.674267 O\n0.750000 0.209923 0.582271 O\n0.250000 0.405307 0.619334 O\n0.750000 0.594693 0.380666 O\n0.250000 0.790077 0.417729 O\n0.560815 0.150698 0.325733 O\n0.939185 0.150698 0.325733 O\n0.250000 0.467622 0.157094 O\n0.250000 0.057902 0.149320 O\n0.750000 0.712974 0.053492 O\n",
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{
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"structure_string": "Rb4 Ag28 S16\n1.0\n11.214376 0.000000 0.000000\n0.000000 11.214376 0.000000\n0.000000 0.000000 8.525210\nRb Ag S\n4 28 16\ndirect\n0.500000 0.000000 0.124287 Rb\n0.000000 0.500000 0.875713 Rb\n0.500000 0.000000 0.623680 Rb\n0.000000 0.500000 0.376320 Rb\n0.862883 0.018937 0.123040 Ag\n0.018937 0.137117 0.876960 Ag\n0.981063 0.862883 0.876960 Ag\n0.637117 0.481063 0.876960 Ag\n0.362883 0.518937 0.876960 Ag\n0.040343 0.142173 0.383689 Ag\n0.959657 0.857827 0.383689 Ag\n0.642173 0.459657 0.383689 Ag\n0.142173 0.959657 0.616311 Ag\n0.459657 0.357827 0.616311 Ag\n0.540343 0.642173 0.616311 Ag\n0.857827 0.040343 0.616311 Ag\n0.518937 0.637117 0.123040 Ag\n0.481063 0.362883 0.123040 Ag\n0.137117 0.981063 0.123040 Ag\n0.211588 0.227572 0.661344 Ag\n0.727572 0.288412 0.661344 Ag\n0.272428 0.711588 0.661344 Ag\n0.788412 0.772428 0.661344 Ag\n0.288412 0.272428 0.338656 Ag\n0.772428 0.211588 0.338656 Ag\n0.227572 0.788412 0.338656 Ag\n0.711588 0.727572 0.338656 Ag\n0.250000 0.750000 0.000000 Ag\n0.250000 0.250000 0.000000 Ag\n0.750000 0.750000 0.000000 Ag\n0.750000 0.250000 0.000000 Ag\n0.357827 0.540343 0.383689 Ag\n0.054557 0.751838 0.624407 S\n0.942038 0.242953 0.132751 S\n0.742953 0.557962 0.132751 S\n0.257047 0.442038 0.132751 S\n0.251838 0.445443 0.624407 S\n0.748162 0.554557 0.624407 S\n0.945443 0.248162 0.624407 S\n0.445443 0.748162 0.375593 S\n0.248162 0.054557 0.375593 S\n0.057962 0.757047 0.132751 S\n0.751838 0.945443 0.375593 S\n0.442038 0.742953 0.867249 S\n0.242953 0.057962 0.867249 S\n0.757047 0.942038 0.867249 S\n0.557962 0.257047 0.867249 S\n0.554557 0.251838 0.375593 S\n",
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