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{
"id": "mp-706251",
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"structure_string": "Cr4 H67 C20 N16 O16\n1.0\n10.884816 0.000000 0.000000\n-0.027923 10.891014 0.000000\n-0.016954 -0.007120 10.902970\nCr H C N O\n4 67 20 16 16\ndirect\n0.502373 0.497683 0.501825 Cr\n0.997620 0.997656 0.497747 Cr\n0.002049 0.502184 0.997704 Cr\n0.497514 0.002539 0.002370 Cr\n0.054946 0.436111 0.597527 H\n0.208542 0.387209 0.561730 H\n0.081127 0.278798 0.552320 H\n0.643507 0.269956 0.499144 H\n0.140177 0.231300 0.332217 H\n0.764532 0.161711 0.499451 H\n0.445121 0.936224 0.402536 H\n0.291374 0.887015 0.438202 H\n0.418527 0.778866 0.447639 H\n0.856772 0.770031 0.500849 H\n0.359472 0.731380 0.667852 H\n0.439589 0.710765 0.114089 H\n0.735628 0.661614 0.500666 H\n0.655846 0.646259 0.265154 H\n0.449452 0.582136 0.222523 H\n0.405679 0.557438 0.065027 H\n0.500628 0.263951 0.338327 H\n0.060353 0.209973 0.886421 H\n0.731318 0.167493 0.859555 H\n0.851192 0.157795 0.729985 H\n0.500359 0.143173 0.229280 H\n0.434986 0.095824 0.556744 H\n0.051410 0.082138 0.778323 H\n0.095741 0.056706 0.934935 H\n0.386416 0.060202 0.709832 H\n0.278141 0.051433 0.582049 H\n0.770128 0.000576 0.356496 H\n0.661724 0.999560 0.235252 H\n0.161818 0.999341 0.264024 H\n0.270423 0.999623 0.143288 H\n0.778694 0.947159 0.918973 H\n0.886876 0.938285 0.791668 H\n0.935942 0.902388 0.945266 H\n0.000559 0.856635 0.269507 H\n0.229711 0.851139 0.657953 H\n0.998753 0.735642 0.161101 H\n0.999578 0.764429 0.661951 H\n0.999618 0.643468 0.770824 H\n0.065186 0.595731 0.443261 H\n0.113548 0.560207 0.290182 H\n0.221961 0.551846 0.417941 H\n0.729797 0.500473 0.643574 H\n0.838439 0.499659 0.764734 H\n0.338186 0.499236 0.736060 H\n0.229397 0.499433 0.856707 H\n0.723397 0.448486 0.082255 H\n0.613893 0.439721 0.209945 H\n0.904379 0.443854 0.434398 H\n0.948948 0.417892 0.277623 H\n0.565859 0.405527 0.056099 H\n0.498928 0.356622 0.730210 H\n0.270112 0.351355 0.342191 H\n0.938790 0.290582 0.386158 H\n0.498986 0.235187 0.838371 H\n0.595844 0.944042 0.565654 H\n0.551169 0.917965 0.722389 H\n0.264129 0.838618 0.999607 H\n0.560836 0.790809 0.613784 H\n0.143156 0.729458 0.000282 H\n0.582266 0.721847 0.947474 H\n0.709360 0.613996 0.938266 H\n0.555463 0.564382 0.902969 H\n0.235330 0.338260 0.000270 H\n0.356332 0.229655 0.999471 H\n0.918167 0.222396 0.051127 H\n0.790728 0.113418 0.060881 H\n0.943900 0.065514 0.095766 H\n0.110829 0.374377 0.541371 C\n0.389046 0.874369 0.458600 C\n0.461346 0.613504 0.127719 C\n0.637267 0.136708 0.362361 C\n0.039238 0.112455 0.873332 C\n0.373279 0.039218 0.612407 C\n0.874154 0.958433 0.889244 C\n0.137152 0.862132 0.137045 C\n0.326555 0.825507 0.660991 C\n0.863023 0.636847 0.637715 C\n0.126820 0.539292 0.387587 C\n0.628294 0.460908 0.112759 C\n0.960582 0.387806 0.372875 C\n0.173185 0.325590 0.338955 C\n0.539341 0.888009 0.627096 C\n0.672934 0.671813 0.167996 C\n0.611853 0.626474 0.958800 C\n0.362645 0.362697 0.863115 C\n0.825561 0.160985 0.826730 C\n0.887976 0.127023 0.039305 C\n0.681692 0.191083 0.464017 N\n0.818467 0.691175 0.536186 N\n0.536014 0.181351 0.308329 N\n0.690975 0.035818 0.318126 N\n0.191589 0.964045 0.181565 N\n0.407335 0.907204 0.591852 N\n0.036389 0.817673 0.191182 N\n0.964464 0.681428 0.691371 N\n0.808930 0.535765 0.681926 N\n0.308508 0.464047 0.818739 N\n0.092630 0.407177 0.408136 N\n0.463713 0.318401 0.809370 N\n0.181802 0.808355 0.036022 N\n0.594148 0.593935 0.091502 N\n0.318241 0.308861 0.964568 N\n0.907176 0.091844 0.907436 N\n0.918931 0.121835 0.540017 O\n0.581355 0.621766 0.458708 O\n0.459642 0.418843 0.377757 O\n0.591308 0.408718 0.590992 O\n0.121545 0.040073 0.418873 O\n0.621496 0.961428 0.081199 O\n0.040232 0.918973 0.621668 O\n0.908281 0.908466 0.408792 O\n0.091702 0.591813 0.908291 O\n0.959899 0.579987 0.122328 O\n0.378845 0.540027 0.580833 O\n0.877668 0.460315 0.919086 O\n0.408240 0.091821 0.091804 O\n0.539784 0.081865 0.878334 O\n0.419311 0.877931 0.960782 O\n0.080810 0.378245 0.039025 O\n",
"nsites": 123,
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"elements": [
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"H",
"C",
"N",
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],
"chemical_system": "C-Cr-H-N-O",
"density": 1.2793789375002889,
"density_atomic": 0.09516360507456606,
"volume": 1292.5109331831486,
"volume_molar": 6.328197376803151,
"formula_full": "Cr4 H67 C20 N16 O16",
"formula_reduced": "Cr4H67C20(NO)16",
"formula_anonymous": "A4B16C16D20E67",
"energy": -712.7906676299999,
"energy_per_atom": -5.795046078292682,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:58.800000Z",
"spacegroup": 1
},
{
"id": "mp-1198160",
"created_at": "2022-09-04T14:39:22.743584Z",
"structure_string": "Rb8 Li4 Fe4 Mo12 O48\n1.0\n5.950894 0.000000 0.000000\n0.000000 8.682382 0.000000\n0.000000 0.000000 25.016200\nRb Li Fe Mo O\n8 4 4 12 48\ndirect\n0.750000 0.876058 0.210448 Rb\n0.750000 0.623942 0.710448 Rb\n0.250000 0.123942 0.789552 Rb\n0.250000 0.376058 0.289552 Rb\n0.750000 0.451374 0.918849 Rb\n0.750000 0.048626 0.418849 Rb\n0.250000 0.548626 0.081151 Rb\n0.250000 0.951374 0.581151 Rb\n0.250000 0.686009 0.207758 Li\n0.250000 0.813991 0.707758 Li\n0.750000 0.313991 0.792242 Li\n0.750000 0.186009 0.292242 Li\n0.750000 0.198524 0.058825 Fe\n0.750000 0.301476 0.558825 Fe\n0.250000 0.801476 0.941175 Fe\n0.250000 0.698524 0.441175 Fe\n0.250000 0.201325 0.979929 Mo\n0.250000 0.298675 0.479929 Mo\n0.750000 0.798675 0.020071 Mo\n0.750000 0.701325 0.520071 Mo\n0.750000 0.438654 0.177763 Mo\n0.750000 0.061346 0.677763 Mo\n0.250000 0.561346 0.822237 Mo\n0.250000 0.938654 0.322237 Mo\n0.250000 0.061917 0.139112 Mo\n0.250000 0.438083 0.639112 Mo\n0.750000 0.938083 0.860888 Mo\n0.750000 0.561917 0.360888 Mo\n0.250000 0.248096 0.911905 O\n0.250000 0.251904 0.411905 O\n0.750000 0.751904 0.088095 O\n0.750000 0.748096 0.588095 O\n0.250000 0.996272 0.987840 O\n0.250000 0.503728 0.487840 O\n0.750000 0.003728 0.012160 O\n0.750000 0.496272 0.512160 O\n0.997506 0.287721 0.009706 O\n0.502494 0.212279 0.509706 O\n0.497506 0.712279 0.990294 O\n0.002494 0.787721 0.490294 O\n0.002494 0.712279 0.990294 O\n0.497506 0.787721 0.490294 O\n0.502494 0.287721 0.009706 O\n0.997506 0.212279 0.509706 O\n0.750000 0.275962 0.220829 O\n0.750000 0.224038 0.720829 O\n0.250000 0.724038 0.779171 O\n0.250000 0.775962 0.279171 O\n0.506507 0.553185 0.191355 O\n0.993493 0.946815 0.691355 O\n0.006507 0.446815 0.808645 O\n0.493493 0.053185 0.308645 O\n0.493493 0.446815 0.808645 O\n0.006507 0.053185 0.308645 O\n0.993493 0.553185 0.191355 O\n0.506507 0.946815 0.691355 O\n0.750000 0.382249 0.106708 O\n0.750000 0.117751 0.606708 O\n0.250000 0.617751 0.893292 O\n0.250000 0.882249 0.393292 O\n0.250000 0.180088 0.195773 O\n0.250000 0.319912 0.695773 O\n0.750000 0.819912 0.804227 O\n0.750000 0.680088 0.304227 O\n0.250000 0.865326 0.161113 O\n0.250000 0.634674 0.661113 O\n0.750000 0.134674 0.838887 O\n0.750000 0.365326 0.338887 O\n0.504638 0.101998 0.101648 O\n0.995362 0.398002 0.601648 O\n0.004638 0.898002 0.898352 O\n0.495362 0.601998 0.398352 O\n0.495362 0.898002 0.898352 O\n0.004638 0.601998 0.398352 O\n0.995362 0.101998 0.101648 O\n0.504638 0.398002 0.601648 O\n",
"nsites": 76,
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"elements": [
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"Li",
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],
"chemical_system": "Fe-Li-Mo-O-Rb",
"density": 3.66675218892384,
"density_atomic": 0.05879916351699377,
"volume": 1292.5353942838822,
"volume_molar": 10.241881686394262,
"formula_full": "Rb8 Li4 Fe4 Mo12 O48",
"formula_reduced": "Rb2LiFe(MoO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -575.74681248,
"energy_per_atom": -7.575615953684211,
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"energy_uncorrected": -495.32281248,
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"updated_at": "2021-11-28T01:34:34.636000Z",
"spacegroup": 62
},
{
"id": "mp-565679",
"created_at": "2022-09-04T14:44:13.751828Z",
"structure_string": "Hg16 Se16 O36\n1.0\n10.566293 0.000000 0.000000\n0.000000 9.975201 0.000000\n0.000000 9.142447 12.263899\nHg Se O\n16 16 36\ndirect\n0.718702 0.530864 0.428687 Hg\n0.281298 0.469136 0.571313 Hg\n0.709419 0.051896 0.715678 Hg\n0.454201 0.661962 0.796695 Hg\n0.209419 0.948104 0.784322 Hg\n0.954201 0.338038 0.703305 Hg\n0.545799 0.338038 0.203305 Hg\n0.590234 0.372226 0.737428 Hg\n0.290581 0.948104 0.284322 Hg\n0.045799 0.661962 0.296695 Hg\n0.790581 0.051896 0.215678 Hg\n0.781298 0.530864 0.928687 Hg\n0.090234 0.627774 0.762572 Hg\n0.409766 0.627774 0.262572 Hg\n0.218702 0.469136 0.071313 Hg\n0.909766 0.372226 0.237428 Hg\n0.755591 0.789537 0.659787 Se\n0.026211 0.266311 0.997604 Se\n0.244409 0.210463 0.340213 Se\n0.744409 0.789537 0.159787 Se\n0.973789 0.733689 0.002396 Se\n0.734321 0.155382 0.325917 Se\n0.007327 0.768020 0.474514 Se\n0.507327 0.231980 0.025486 Se\n0.992673 0.231980 0.525486 Se\n0.473789 0.266311 0.497604 Se\n0.765679 0.155382 0.825917 Se\n0.265679 0.844618 0.674083 Se\n0.234321 0.844618 0.174083 Se\n0.526211 0.733689 0.502396 Se\n0.255591 0.210463 0.840213 Se\n0.492673 0.768020 0.974514 Se\n0.966989 0.623262 0.611132 O\n0.072657 0.298612 0.592752 O\n0.816515 0.603709 0.269691 O\n0.183485 0.396291 0.730309 O\n0.064428 0.702425 0.923653 O\n0.935572 0.297575 0.076347 O\n0.329469 0.359158 0.482755 O\n0.375300 0.188633 0.775450 O\n0.316515 0.396291 0.230309 O\n0.541490 0.420281 0.366964 O\n0.683485 0.603709 0.769691 O\n0.855007 0.936808 0.141268 O\n0.662543 0.274282 0.035507 O\n0.033011 0.376738 0.388868 O\n0.337457 0.725718 0.964493 O\n0.572657 0.701388 0.907248 O\n0.162543 0.725718 0.464493 O\n0.466989 0.376738 0.888868 O\n0.427343 0.298612 0.092752 O\n0.829469 0.640842 0.017245 O\n0.435572 0.702425 0.423653 O\n0.170531 0.359158 0.982755 O\n0.564428 0.297575 0.576347 O\n0.124700 0.188633 0.275450 O\n0.644993 0.936808 0.641268 O\n0.875300 0.811367 0.724550 O\n0.144993 0.063192 0.858732 O\n0.927343 0.701388 0.407248 O\n0.458510 0.579719 0.633036 O\n0.624700 0.811367 0.224550 O\n0.670531 0.640842 0.517245 O\n0.041490 0.579719 0.133036 O\n0.355007 0.063192 0.358732 O\n0.837457 0.274282 0.535507 O\n0.533011 0.623262 0.111132 O\n0.958510 0.420281 0.866964 O\n",
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"elements": [
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"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.485784829786007,
"density_atomic": 0.05260609230606823,
"volume": 1292.6259491841413,
"volume_molar": 11.447610905905156,
"formula_full": "Hg16 Se16 O36",
"formula_reduced": "Hg4Se4O9",
"formula_anonymous": "A4B4C9",
"energy": -303.83506172000006,
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"updated_at": "2021-11-28T01:36:29.421000Z",
"spacegroup": 14
},
{
"id": "mp-1080640",
"created_at": "2022-09-04T14:41:25.280020Z",
"structure_string": "Ce13 Se26\n1.0\n9.681950 0.000000 0.000000\n-1.741130 10.494898 0.000000\n-1.071168 -2.087849 12.722259\nCe Se\n13 26\ndirect\n0.000000 0.000000 0.000000 Ce\n0.227120 0.693929 0.924837 Ce\n0.772880 0.306071 0.075163 Ce\n0.693592 0.074223 0.771689 Ce\n0.306408 0.925777 0.228311 Ce\n0.073935 0.227466 0.305293 Ce\n0.926065 0.772534 0.694707 Ce\n0.154792 0.465029 0.617118 Ce\n0.845208 0.534971 0.382882 Ce\n0.465715 0.383635 0.845831 Ce\n0.534285 0.616365 0.154169 Ce\n0.383543 0.154574 0.535413 Ce\n0.616457 0.845426 0.464587 Ce\n0.937858 0.730957 0.910678 Se\n0.062142 0.269043 0.089322 Se\n0.711404 0.034487 0.987806 Se\n0.288596 0.965513 0.012194 Se\n0.014892 0.957519 0.214396 Se\n0.985108 0.042481 0.785604 Se\n0.637167 0.805574 0.682222 Se\n0.362833 0.194426 0.317778 Se\n0.786257 0.263640 0.289209 Se\n0.213743 0.736360 0.710791 Se\n0.243739 0.656759 0.140179 Se\n0.756261 0.343241 0.859821 Se\n0.867290 0.504207 0.600834 Se\n0.132710 0.495793 0.399166 Se\n0.485916 0.347358 0.061874 Se\n0.514084 0.652642 0.938126 Se\n0.328550 0.886091 0.443822 Se\n0.671450 0.113909 0.556178 Se\n0.178209 0.425304 0.833052 Se\n0.821791 0.574696 0.166948 Se\n0.406635 0.114972 0.751167 Se\n0.593365 0.885028 0.248833 Se\n0.095676 0.196435 0.522749 Se\n0.904324 0.803565 0.477251 Se\n0.558538 0.577640 0.369909 Se\n0.441462 0.422360 0.630091 Se\n",
"nsites": 39,
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"elements": [
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"Se"
],
"chemical_system": "Ce-Se",
"density": 4.97686528764225,
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"volume": 1292.722447655296,
"volume_molar": 19.961427034338268,
"formula_full": "Ce13 Se26",
"formula_reduced": "CeSe2",
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"energy": -240.27318638000003,
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"spacegroup": 2
},
{
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"structure_string": "Al4 H60 Se6 O56\n1.0\n-6.154960 0.000000 0.851172\n-0.006142 0.000000 -7.630346\n0.000000 -27.531522 0.000000\nAl H Se O\n4 60 6 56\ndirect\n0.513258 0.267457 0.862147 Al\n0.486742 0.732543 0.362147 Al\n0.520933 0.822722 0.060641 Al\n0.479067 0.177278 0.560641 Al\n0.811039 0.291423 0.927984 H\n0.188961 0.708577 0.427984 H\n0.491519 0.962246 0.820974 H\n0.508481 0.037754 0.320974 H\n0.460667 0.451536 0.202403 H\n0.539333 0.548464 0.702403 H\n0.669317 0.847458 0.973494 H\n0.330683 0.152542 0.473494 H\n0.683718 0.576126 0.199135 H\n0.316282 0.423874 0.699135 H\n0.132149 0.672986 0.042328 H\n0.867851 0.327014 0.542328 H\n0.415282 0.890707 0.743709 H\n0.584718 0.109293 0.243709 H\n0.326262 0.101549 0.075298 H\n0.673738 0.898451 0.575298 H\n0.475669 0.633098 0.141833 H\n0.524331 0.366902 0.641833 H\n0.213550 0.808623 0.998413 H\n0.786450 0.191377 0.498413 H\n0.317934 0.061768 0.927947 H\n0.682066 0.938232 0.427947 H\n0.698897 0.046782 0.995692 H\n0.301103 0.953218 0.495692 H\n0.709370 0.994017 0.854662 H\n0.290630 0.005983 0.354662 H\n0.899105 0.418454 0.882837 H\n0.100895 0.581546 0.382837 H\n0.609952 0.713859 0.765512 H\n0.390048 0.286141 0.265512 H\n0.900493 0.987425 0.073331 H\n0.099507 0.012575 0.573331 H\n0.683173 0.456146 0.786463 H\n0.316827 0.543854 0.286463 H\n0.340434 0.263310 0.949118 H\n0.659566 0.736690 0.449118 H\n0.876678 0.842839 0.115614 H\n0.123322 0.157161 0.615614 H\n0.524321 0.094603 0.114343 H\n0.475679 0.905397 0.614343 H\n0.469681 0.510946 0.022282 H\n0.530319 0.489054 0.522282 H\n0.318222 0.545596 0.874881 H\n0.681778 0.454404 0.374881 H\n0.722983 0.550629 0.042695 H\n0.277017 0.449371 0.542695 H\n0.568154 0.587085 0.895721 H\n0.431846 0.412915 0.395721 H\n0.680018 0.245104 0.776912 H\n0.319982 0.754896 0.276912 H\n0.837644 0.722727 0.739322 H\n0.162356 0.277273 0.239322 H\n0.128732 0.117668 0.845419 H\n0.871268 0.882332 0.345419 H\n0.280604 0.759208 0.136181 H\n0.719396 0.240792 0.636181 H\n0.234822 0.812220 0.779012 H\n0.765178 0.187780 0.279012 H\n0.203474 0.235436 0.797377 H\n0.796526 0.764564 0.297377 H\n0.028881 0.888167 0.212541 Se\n0.971119 0.111833 0.712541 Se\n0.990173 0.780191 0.899839 Se\n0.009827 0.219809 0.399839 Se\n0.039422 0.318648 0.023986 Se\n0.960578 0.681352 0.523986 Se\n0.805449 0.877966 0.084633 O\n0.194551 0.122034 0.584633 O\n0.390716 0.186406 0.922899 O\n0.609284 0.813594 0.422899 O\n0.413185 0.723298 0.120313 O\n0.586815 0.276702 0.620313 O\n0.067942 0.601262 0.872829 O\n0.932058 0.398738 0.372829 O\n0.847356 0.740069 0.240844 O\n0.152644 0.259931 0.740844 O\n0.467984 0.056239 0.081575 O\n0.532016 0.943761 0.581575 O\n0.232320 0.220699 0.833324 O\n0.767680 0.779301 0.333324 O\n0.572119 0.505143 0.178953 O\n0.427881 0.494857 0.678953 O\n0.952235 0.092497 0.213292 O\n0.047765 0.907503 0.713292 O\n0.392364 0.843687 0.777283 O\n0.607636 0.156313 0.277283 O\n0.465463 0.505139 0.875092 O\n0.534537 0.494861 0.375092 O\n0.049309 0.815901 0.155289 O\n0.950691 0.184099 0.655289 O\n0.752428 0.718386 0.928034 O\n0.247572 0.281614 0.428034 O\n0.713276 0.639735 0.751437 O\n0.286724 0.360265 0.251437 O\n0.561610 0.030499 0.849824 O\n0.438390 0.969501 0.349824 O\n0.841772 0.236832 0.985541 O\n0.158228 0.763168 0.485541 O\n0.965842 0.495411 0.052436 O\n0.034158 0.504589 0.552436 O\n0.641631 0.336284 0.801035 O\n0.358369 0.663716 0.301035 O\n0.272859 0.903456 0.238797 O\n0.727141 0.096544 0.738797 O\n0.791181 0.313810 0.892433 O\n0.208819 0.686190 0.392433 O\n0.581453 0.598597 0.038535 O\n0.418547 0.401403 0.538535 O\n0.957316 0.931117 0.857055 O\n0.042684 0.068883 0.357055 O\n0.081155 0.162547 0.064276 O\n0.918845 0.837453 0.564276 O\n0.237752 0.780977 0.033311 O\n0.762248 0.219023 0.533311 O\n0.616608 0.924256 0.999171 O\n0.383392 0.075744 0.499171 O\n0.269700 0.384452 0.993229 O\n0.730300 0.615548 0.493229 O\n0.178159 0.866637 0.939841 O\n0.821841 0.133363 0.439841 O\n0.601917 0.125328 0.177624 O\n0.398083 0.874672 0.677624 O\n",
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"elements": [
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"Se",
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],
"chemical_system": "Al-H-O-Se",
"density": 1.975121500341765,
"density_atomic": 0.09743668874894577,
"volume": 1293.1473926074204,
"volume_molar": 6.180567953737198,
"formula_full": "Al4 H60 Se6 O56",
"formula_reduced": "Al2H30Se3O28",
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"energy": -689.83290145,
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"updated_at": "2021-11-28T01:37:53.497000Z",
"spacegroup": 4
},
{
"id": "mp-17978",
"created_at": "2022-09-04T14:40:05.388928Z",
"structure_string": "Rb20 Ge4 P12\n1.0\n5.493433 0.000000 0.000000\n0.000000 14.980906 0.000000\n0.000000 0.000000 15.713284\nRb Ge P\n20 4 12\ndirect\n0.250000 0.380625 0.015419 Rb\n0.750000 0.619375 0.984581 Rb\n0.250000 0.119375 0.515419 Rb\n0.750000 0.880625 0.484581 Rb\n0.750000 0.730208 0.234521 Rb\n0.250000 0.269792 0.765479 Rb\n0.750000 0.769792 0.734521 Rb\n0.250000 0.230208 0.265479 Rb\n0.750000 0.059724 0.695789 Rb\n0.250000 0.940276 0.304211 Rb\n0.750000 0.440276 0.195789 Rb\n0.250000 0.559724 0.804211 Rb\n0.750000 0.184277 0.915696 Rb\n0.250000 0.815723 0.084304 Rb\n0.750000 0.315723 0.415696 Rb\n0.250000 0.684277 0.584304 Rb\n0.750000 0.927940 0.932675 Rb\n0.250000 0.072060 0.067325 Rb\n0.750000 0.572060 0.432675 Rb\n0.250000 0.427940 0.567325 Rb\n0.750000 0.081156 0.219672 Ge\n0.250000 0.918844 0.780328 Ge\n0.750000 0.418844 0.719672 Ge\n0.250000 0.581156 0.280328 Ge\n0.750000 0.207940 0.136756 P\n0.250000 0.792060 0.863244 P\n0.750000 0.292060 0.636756 P\n0.250000 0.707940 0.363244 P\n0.750000 0.944398 0.155000 P\n0.250000 0.055602 0.845000 P\n0.750000 0.555602 0.655000 P\n0.250000 0.444398 0.345000 P\n0.750000 0.089020 0.366554 P\n0.250000 0.910980 0.633446 P\n0.750000 0.410980 0.866554 P\n0.250000 0.589020 0.133446 P\n",
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"formula_full": "Rb20 Ge4 P12",
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},
{
"id": "mp-568716",
"created_at": "2022-09-04T14:48:25.060610Z",
"structure_string": "Sr20 Ag20\n1.0\n4.843303 0.000000 0.000000\n0.000000 6.423384 0.000000\n0.000000 0.000000 41.566854\nSr Ag\n20 20\ndirect\n0.750000 0.866564 0.636078 Sr\n0.750000 0.626639 0.336075 Sr\n0.750000 0.632695 0.936003 Sr\n0.750000 0.873361 0.836075 Sr\n0.250000 0.133436 0.363922 Sr\n0.250000 0.892576 0.264113 Sr\n0.250000 0.132553 0.964070 Sr\n0.250000 0.366564 0.863922 Sr\n0.750000 0.392576 0.235887 Sr\n0.250000 0.132695 0.563997 Sr\n0.750000 0.867305 0.436003 Sr\n0.250000 0.126639 0.163925 Sr\n0.750000 0.633436 0.136078 Sr\n0.250000 0.367305 0.063997 Sr\n0.750000 0.632553 0.535930 Sr\n0.750000 0.107424 0.735887 Sr\n0.250000 0.373361 0.663925 Sr\n0.250000 0.367447 0.464070 Sr\n0.750000 0.867447 0.035930 Sr\n0.250000 0.607424 0.764113 Sr\n0.750000 0.376850 0.606926 Ag\n0.250000 0.876705 0.493015 Ag\n0.750000 0.136852 0.306975 Ag\n0.750000 0.123295 0.506985 Ag\n0.750000 0.616432 0.707163 Ag\n0.250000 0.623909 0.592841 Ag\n0.750000 0.363148 0.806975 Ag\n0.250000 0.623295 0.993015 Ag\n0.250000 0.383568 0.292837 Ag\n0.750000 0.376091 0.407159 Ag\n0.250000 0.876850 0.893074 Ag\n0.750000 0.883568 0.207163 Ag\n0.250000 0.116432 0.792837 Ag\n0.750000 0.123909 0.907159 Ag\n0.750000 0.376705 0.006985 Ag\n0.750000 0.123150 0.106926 Ag\n0.250000 0.863148 0.693025 Ag\n0.250000 0.876091 0.092841 Ag\n0.250000 0.623150 0.393074 Ag\n0.250000 0.636852 0.193025 Ag\n",
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"elements": [
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],
"chemical_system": "Ag-Sr",
"density": 5.02049986385446,
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"volume": 1293.1612467372609,
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"formula_full": "Sr20 Ag20",
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"updated_at": "2021-11-28T01:39:32.728000Z",
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}
]
}