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{
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{
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"nsites": 28,
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"elements": [
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],
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"formula_full": "Sr2 Zn2 P4 H4 O16",
"formula_reduced": "SrZnP2(HO4)2",
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},
{
"id": "mp-1104577",
"created_at": "2022-09-04T14:42:46.036695Z",
"structure_string": "Mo6 S8\n1.0\n6.378880 0.000000 0.000000\n-1.596689 6.464796 0.000000\n-3.172508 -2.516546 5.555660\nMo S\n6 8\ndirect\n0.714837 0.998804 0.496644 Mo\n0.285163 0.001196 0.503356 Mo\n0.548662 0.517042 0.820394 Mo\n0.451338 0.482958 0.179606 Mo\n0.023403 0.513496 0.808841 Mo\n0.976597 0.486504 0.191159 Mo\n0.469024 0.786298 0.053033 S\n0.530976 0.213702 0.946967 S\n0.945889 0.732140 0.527183 S\n0.054111 0.267860 0.472817 S\n0.015155 0.205392 0.934762 S\n0.984845 0.794608 0.065238 S\n0.555499 0.287803 0.469362 S\n0.444501 0.712197 0.530638 S\n",
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"elements": [
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{
"id": "mp-1277413",
"created_at": "2022-09-04T14:42:46.602297Z",
"structure_string": "Co4 Pt4 O8\n1.0\n1.495074 -2.499028 0.009371\n4.370871 2.529350 24.091068\n-2.846212 -0.011626 0.656399\nCo Pt O\n4 4 8\ndirect\n0.372955 0.875203 0.746801 Co\n0.628536 0.124868 0.253555 Co\n0.876183 0.375030 0.753055 Co\n0.120780 0.624908 0.244931 Co\n0.012225 0.000031 0.011626 Pt\n0.252820 0.249940 0.503891 Pt\n0.499331 0.500033 0.999383 Pt\n0.736627 0.749989 0.486220 Pt\n0.768085 0.669040 0.540998 O\n0.036220 0.919334 0.058231 O\n0.277334 0.168992 0.550958 O\n0.524097 0.419212 0.048717 O\n0.981063 0.080807 0.957807 O\n0.228455 0.330838 0.457174 O\n0.473925 0.580828 0.949681 O\n0.711366 0.830948 0.436970 O\n",
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"volume": 181.49181485740596,
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"formula_full": "Co4 Pt4 O8",
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"updated_at": "2021-11-28T01:35:57.898000Z",
"spacegroup": 166
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{
"id": "mp-1106156",
"created_at": "2022-09-04T14:42:48.391956Z",
"structure_string": "Cs4 Hg6 Se8\n1.0\n-3.346467 6.211916 7.561200\n3.346467 -6.211916 7.561200\n3.346467 6.211916 -7.561200\nCs Hg Se\n4 6 8\ndirect\n0.619817 0.232430 0.852247 Cs\n0.380183 0.767570 0.147753 Cs\n0.119817 0.267570 0.387387 Cs\n0.880183 0.732430 0.612613 Cs\n0.750000 0.750000 0.000000 Hg\n0.250000 0.250000 0.000000 Hg\n0.083354 0.750000 0.333354 Hg\n0.416646 0.750000 0.666646 Hg\n0.916646 0.250000 0.666646 Hg\n0.583354 0.250000 0.333354 Hg\n0.990753 0.638404 0.913501 Se\n0.724903 0.077252 0.086499 Se\n0.775097 0.861596 0.352349 Se\n0.509247 0.422748 0.647651 Se\n0.009247 0.361596 0.086499 Se\n0.275097 0.922748 0.913501 Se\n0.224903 0.138404 0.647651 Se\n0.490753 0.577252 0.352349 Se\n",
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],
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"density": 6.251086252754691,
"density_atomic": 0.028629229962228997,
"volume": 628.728052544469,
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"formula_full": "Cs4 Hg6 Se8",
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"energy": -47.95531801,
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},
{
"id": "mp-10963",
"created_at": "2022-09-04T14:42:48.397188Z",
"structure_string": "Ag4 Sn2 Hg2 Se8\n1.0\n7.171528 0.000000 0.000000\n0.000000 7.574920 0.000000\n0.000000 0.000000 8.624670\nAg Sn Hg Se\n4 2 2 8\ndirect\n0.491689 0.825600 0.747180 Ag\n0.991689 0.174400 0.247180 Ag\n0.991689 0.174400 0.752820 Ag\n0.491689 0.825600 0.252820 Ag\n0.478853 0.332482 0.500000 Sn\n0.978853 0.667518 0.000000 Sn\n0.976489 0.650300 0.500000 Hg\n0.476489 0.349700 0.000000 Hg\n0.359523 0.654809 0.500000 Se\n0.859523 0.345191 0.000000 Se\n0.841795 0.318536 0.500000 Se\n0.341795 0.681464 0.000000 Se\n0.862482 0.839004 0.756576 Se\n0.862482 0.839004 0.243424 Se\n0.362482 0.160996 0.256576 Se\n0.362482 0.160996 0.743424 Se\n",
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"spacegroup": 31
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{
"id": "mp-559248",
"created_at": "2022-09-04T14:42:45.792365Z",
"structure_string": "V4 H40 N8 O8 F16\n1.0\n9.807839 0.000000 0.000000\n0.000000 7.079551 0.000000\n0.000000 2.080537 10.101509\nV H N O F\n4 40 8 8 16\ndirect\n0.046034 0.229908 0.750196 V\n0.453966 0.229908 0.250196 V\n0.546034 0.770092 0.749804 V\n0.953966 0.770092 0.249804 V\n0.564500 0.894546 0.157189 H\n0.858208 0.376515 0.947647 H\n0.935500 0.894546 0.657189 H\n0.641792 0.376515 0.447647 H\n0.466671 0.220540 0.967239 H\n0.225494 0.662024 0.443736 H\n0.418990 0.349368 0.815043 H\n0.033329 0.220540 0.467239 H\n0.533329 0.779460 0.032761 H\n0.435500 0.105454 0.842811 H\n0.358208 0.623485 0.552353 H\n0.872236 0.952608 0.936192 H\n0.064500 0.105454 0.342811 H\n0.350322 0.498858 0.430288 H\n0.918990 0.650632 0.684957 H\n0.695917 0.793472 0.089518 H\n0.725494 0.337976 0.056264 H\n0.195917 0.206528 0.410482 H\n0.878781 0.258197 0.108597 H\n0.081010 0.349368 0.315043 H\n0.127764 0.047392 0.063808 H\n0.966671 0.779460 0.532761 H\n0.775193 0.053337 0.818251 H\n0.274506 0.662024 0.943736 H\n0.850322 0.501142 0.069712 H\n0.378781 0.741803 0.391403 H\n0.649678 0.501142 0.569712 H\n0.774506 0.337976 0.556264 H\n0.581010 0.650632 0.184957 H\n0.372236 0.047392 0.563808 H\n0.621219 0.258197 0.608597 H\n0.804083 0.793472 0.589518 H\n0.304083 0.206528 0.910482 H\n0.121219 0.741803 0.891403 H\n0.224807 0.946663 0.181749 H\n0.627764 0.952608 0.436192 H\n0.275193 0.946663 0.681749 H\n0.724807 0.053337 0.318251 H\n0.141792 0.623485 0.052353 H\n0.149678 0.498858 0.930288 H\n0.093866 0.219769 0.384177 N\n0.170933 0.630505 0.954415 N\n0.329067 0.630505 0.454415 N\n0.670933 0.369495 0.545585 N\n0.593866 0.780231 0.115823 N\n0.906134 0.780231 0.615823 N\n0.406134 0.219769 0.884177 N\n0.829067 0.369495 0.045585 N\n0.363520 0.934547 0.637840 O\n0.669364 0.652598 0.839008 O\n0.636480 0.065453 0.362160 O\n0.830636 0.652598 0.339008 O\n0.863520 0.065453 0.862160 O\n0.169364 0.347402 0.660992 O\n0.330636 0.347402 0.160992 O\n0.136480 0.934547 0.137840 O\n0.935638 0.444304 0.786323 F\n0.064362 0.555696 0.213677 F\n0.887221 0.036915 0.242458 F\n0.925815 0.204038 0.600181 F\n0.877489 0.776273 0.070023 F\n0.122511 0.223727 0.929977 F\n0.574185 0.204038 0.100181 F\n0.074185 0.795962 0.399819 F\n0.622511 0.776273 0.570023 F\n0.387221 0.963085 0.257542 F\n0.112779 0.963085 0.757542 F\n0.435638 0.555696 0.713677 F\n0.377489 0.223727 0.429977 F\n0.612779 0.036915 0.742458 F\n0.425815 0.795962 0.899819 F\n0.564362 0.444304 0.286323 F\n",
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{
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"created_at": "2022-09-04T14:42:48.418826Z",
"structure_string": "Li8 Mg8 S12 O48\n1.0\n8.638049 0.000000 0.000000\n0.000000 8.809748 0.000000\n0.000000 0.000000 12.348577\nLi Mg S O\n8 8 12 48\ndirect\n0.285611 0.776796 0.681288 Li\n0.285611 0.723204 0.318712 Li\n0.214389 0.276796 0.818712 Li\n0.214389 0.223204 0.181288 Li\n0.714389 0.223204 0.318712 Li\n0.714389 0.276796 0.681288 Li\n0.785611 0.723204 0.181288 Li\n0.785611 0.776796 0.818712 Li\n0.245364 0.041690 0.390968 Mg\n0.245364 0.458310 0.609032 Mg\n0.254636 0.958310 0.890968 Mg\n0.254636 0.541690 0.109032 Mg\n0.754636 0.541690 0.390968 Mg\n0.754636 0.958310 0.609032 Mg\n0.745364 0.041690 0.109032 Mg\n0.745364 0.458310 0.890968 Mg\n0.952506 0.250000 0.500000 S\n0.547494 0.750000 0.000000 S\n0.606138 0.604142 0.648385 S\n0.452506 0.250000 0.000000 S\n0.047494 0.750000 0.500000 S\n0.606138 0.895858 0.351615 S\n0.893862 0.104142 0.851615 S\n0.893862 0.395858 0.148385 S\n0.393862 0.395858 0.351615 S\n0.393862 0.104142 0.648385 S\n0.106138 0.895858 0.148385 S\n0.106138 0.604142 0.851615 S\n0.332392 0.256367 0.680500 O\n0.169904 0.486679 0.776387 O\n0.169904 0.013321 0.223613 O\n0.330096 0.986679 0.723613 O\n0.330096 0.513321 0.276387 O\n0.830096 0.513321 0.223613 O\n0.830096 0.986679 0.776387 O\n0.669904 0.013321 0.276387 O\n0.669904 0.486679 0.723613 O\n0.151053 0.566742 0.962727 O\n0.151053 0.933258 0.037273 O\n0.348947 0.066742 0.537273 O\n0.348947 0.433258 0.462727 O\n0.848947 0.433258 0.037273 O\n0.848947 0.066742 0.962727 O\n0.651053 0.933258 0.462727 O\n0.651053 0.566742 0.537273 O\n0.167608 0.756367 0.819500 O\n0.832392 0.243633 0.180500 O\n0.332392 0.243633 0.319500 O\n0.151053 0.668196 0.577716 O\n0.151053 0.831804 0.422284 O\n0.348947 0.168196 0.922284 O\n0.348947 0.331804 0.077716 O\n0.848947 0.331804 0.422284 O\n0.848947 0.168196 0.577716 O\n0.651053 0.831804 0.077716 O\n0.651053 0.668196 0.922284 O\n0.954190 0.857911 0.562454 O\n0.954190 0.642089 0.437546 O\n0.545810 0.357911 0.937546 O\n0.545810 0.142089 0.062454 O\n0.045810 0.142089 0.437546 O\n0.045810 0.357911 0.562454 O\n0.454190 0.642089 0.062454 O\n0.454190 0.857911 0.937546 O\n0.434233 0.607035 0.658460 O\n0.434233 0.892965 0.341540 O\n0.065767 0.107035 0.841540 O\n0.065767 0.392965 0.158460 O\n0.565767 0.392965 0.341540 O\n0.565767 0.107035 0.658460 O\n0.934233 0.892965 0.158460 O\n0.934233 0.607035 0.841540 O\n0.667608 0.756367 0.680500 O\n0.667608 0.743633 0.319500 O\n0.832392 0.256367 0.819500 O\n0.167608 0.743633 0.180500 O\n",
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