{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10120","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10118","results":[{"id":"mp-758317","created_at":"2022-09-04T14:40:40.556907Z","structure_string":"Y2 Ta6 O18\n1.0\n5.562158 0.000000 0.000000\n2.777751 8.374950 0.000000\n2.780367 2.799388 7.934035\nY Ta O\n2 6 18\ndirect\n0.684188 0.640641 0.998853 Y\n0.335625 0.356540 0.002804 Y\n0.924942 0.409582 0.741737 Ta\n0.418252 0.919209 0.247029 Ta\n0.750651 0.236913 0.266966 Ta\n0.580421 0.080932 0.755212 Ta\n0.250234 0.763645 0.735058 Ta\n0.076346 0.592097 0.256990 Ta\n0.420149 0.900516 0.773415 O\n0.999428 0.500852 0.500112 O\n0.498270 0.002954 0.000728 O\n0.809753 0.356085 0.000500 O\n0.900969 0.898875 0.771729 O\n0.423300 0.425048 0.221827 O\n0.242736 0.247878 0.772137 O\n0.272168 0.749258 0.227828 O\n0.074802 0.571327 0.780559 O\n0.174542 0.643593 0.999816 O\n0.664628 0.165750 0.505703 O\n0.332718 0.833161 0.496504 O\n0.749591 0.749372 0.227016 O\n0.572734 0.576424 0.779319 O\n0.719728 0.254582 0.772460 O\n0.096126 0.100905 0.229072 O\n0.922139 0.427493 0.219399 O\n0.575781 0.098731 0.231526 O\n","nsites":26,"nelements":3,"elements":["Y","Ta","O"],"chemical_system":"O-Ta-Y","density":6.970724400080175,"density_atomic":0.07034831372836266,"volume":369.5895270552514,"volume_molar":8.56046213595597,"formula_full":"Y2 Ta6 O18","formula_reduced":"YTa3O9","formula_anonymous":"AB3C9","energy":-263.18301777,"energy_per_atom":-10.122423760384615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-250.81701777,"band_gap":2.1427,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.003654,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.553000Z","spacegroup":1},{"id":"mp-1187257","created_at":"2022-09-04T14:40:40.563491Z","structure_string":"Ta1 Zn3\n1.0\n3.936575 0.000000 0.000000\n0.000000 3.936575 0.000000\n0.000000 0.000000 3.936575\nTa Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n","nsites":4,"nelements":2,"elements":["Ta","Zn"],"chemical_system":"Ta-Zn","density":10.266827567865073,"density_atomic":0.06556988184759119,"volume":61.00361762581011,"volume_molar":9.184309305296138,"formula_full":"Ta1 Zn3","formula_reduced":"TaZn3","formula_anonymous":"AB3","energy":-15.90029346,"energy_per_atom":-3.975073365,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.90029346,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028041,"is_theoretical":true,"updated_at":"2021-11-28T01:35:08.104000Z","spacegroup":221},{"id":"mp-1097766","created_at":"2022-09-04T14:40:40.573880Z","structure_string":"Cr12 N24\n1.0\n9.184469 0.000000 0.000000\n0.000000 9.184469 0.000000\n0.000000 0.000000 10.178161\nCr N\n12 24\ndirect\n0.861324 0.138676 0.750000 Cr\n0.138676 0.861324 0.250000 Cr\n0.638676 0.638676 0.500000 Cr\n0.361324 0.361324 0.000000 Cr\n0.876046 0.418740 0.568014 Cr\n0.123954 0.581260 0.068014 Cr\n0.918740 0.623954 0.318014 Cr\n0.081260 0.376046 0.818014 Cr\n0.581260 0.123954 0.931986 Cr\n0.418740 0.876046 0.431986 Cr\n0.623954 0.918740 0.681986 Cr\n0.376046 0.081260 0.181986 Cr\n0.968642 0.494016 0.427618 N\n0.031358 0.505984 0.927618 N\n0.994016 0.531358 0.177618 N\n0.005984 0.468642 0.677618 N\n0.505984 0.031358 0.072382 N\n0.494016 0.968642 0.572382 N\n0.531358 0.994016 0.822382 N\n0.468642 0.005984 0.322382 N\n0.685495 0.474818 0.566828 N\n0.314505 0.525182 0.066828 N\n0.974818 0.814505 0.316828 N\n0.025182 0.185495 0.816828 N\n0.525182 0.314505 0.933172 N\n0.474818 0.685495 0.433172 N\n0.814505 0.974818 0.683172 N\n0.185495 0.025182 0.183172 N\n0.845317 0.239881 0.599842 N\n0.154683 0.760119 0.099842 N\n0.739881 0.654683 0.349842 N\n0.260119 0.345317 0.849842 N\n0.760119 0.154683 0.900158 N\n0.239881 0.845317 0.400158 N\n0.654683 0.739881 0.650158 N\n0.345317 0.260119 0.150158 N\n","nsites":36,"nelements":2,"elements":["Cr","N"],"chemical_system":"Cr-N","density":1.8569254920484703,"density_atomic":0.04193002092681235,"volume":858.5733849939396,"volume_molar":14.362360492286601,"formula_full":"Cr12 N24","formula_reduced":"CrN2","formula_anonymous":"AB2","energy":-308.32460248000007,"energy_per_atom":-8.564572291111112,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-299.66060248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.55e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.517000Z","spacegroup":92},{"id":"mp-1212231","created_at":"2022-09-04T14:40:40.743346Z","structure_string":"Hf4 Ni4 Sb4\n1.0\n4.204616 0.000000 0.000000\n0.000000 6.626727 0.000000\n0.000000 0.000000 7.639916\nHf Ni Sb\n4 4 4\ndirect\n0.250000 0.500654 0.200649 Hf\n0.750000 0.499346 0.799351 Hf\n0.750000 0.999346 0.700649 Hf\n0.250000 0.000654 0.299351 Hf\n0.250000 0.683422 0.589465 Ni\n0.750000 0.316578 0.410535 Ni\n0.750000 0.816578 0.089465 Ni\n0.250000 0.183422 0.910535 Ni\n0.250000 0.786961 0.910605 Sb\n0.750000 0.213039 0.089395 Sb\n0.750000 0.713039 0.410605 Sb\n0.250000 0.286961 0.589395 Sb\n","nsites":12,"nelements":3,"elements":["Hf","Ni","Sb"],"chemical_system":"Hf-Ni-Sb","density":11.200078314932618,"density_atomic":0.05637249340051098,"volume":212.86977524203724,"volume_molar":10.68276458380926,"formula_full":"Hf4 Ni4 Sb4","formula_reduced":"HfNiSb","formula_anonymous":"ABC","energy":-86.32183567,"energy_per_atom":-7.193486305833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.55383567,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.59e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.863000Z","spacegroup":62},{"id":"mp-1188755","created_at":"2022-09-04T14:40:40.526563Z","structure_string":"Nd4 Al4 Pd8\n1.0\n5.894175 0.000000 0.000000\n0.000000 7.092806 0.000000\n0.000000 0.000000 7.570607\nNd Al Pd\n4 4 8\ndirect\n0.346809 0.750000 0.032736 Nd\n0.153191 0.750000 0.532736 Nd\n0.653191 0.250000 0.967264 Nd\n0.846809 0.250000 0.467264 Nd\n0.654022 0.750000 0.381781 Al\n0.845978 0.750000 0.881781 Al\n0.345978 0.250000 0.618219 Al\n0.154022 0.250000 0.118219 Al\n0.911968 0.552836 0.177068 Pd\n0.588032 0.947164 0.677068 Pd\n0.088032 0.052836 0.822932 Pd\n0.411968 0.447164 0.322932 Pd\n0.088032 0.447164 0.822932 Pd\n0.411968 0.052836 0.322932 Pd\n0.911968 0.947164 0.177068 Pd\n0.588032 0.552836 0.677068 Pd\n","nsites":16,"nelements":3,"elements":["Nd","Al","Pd"],"chemical_system":"Al-Nd-Pd","density":8.060098670924813,"density_atomic":0.050553144335969205,"volume":316.49861171179015,"volume_molar":11.912494937956156,"formula_full":"Nd4 Al4 Pd8","formula_reduced":"NdAlPd2","formula_anonymous":"ABC2","energy":-89.59530069,"energy_per_atom":-5.599706293125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.59530069,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001297,"is_theoretical":false,"updated_at":"2021-11-28T01:35:03.750000Z","spacegroup":62},{"id":"mp-1213944","created_at":"2022-09-04T14:40:40.543300Z","structure_string":"Cr4 Cu4 As4 Pb8 O36\n1.0\n0.000000 5.967315 0.000000\n8.015647 0.000000 -2.784391\n-7.846551 0.000000 -14.383395\nCr Cu As Pb O\n4 4 4 8 36\ndirect\n0.257051 0.892219 0.843050 Cr\n0.742949 0.107781 0.156950 Cr\n0.757051 0.607781 0.656950 Cr\n0.242949 0.392219 0.343050 Cr\n0.008240 0.264132 0.749081 Cu\n0.991760 0.735868 0.250919 Cu\n0.508240 0.235868 0.750919 Cu\n0.491760 0.764132 0.249081 Cu\n0.256710 0.406400 0.915671 As\n0.743290 0.593600 0.084329 As\n0.756710 0.093600 0.584329 As\n0.243290 0.906400 0.415671 As\n0.212077 0.829128 0.628534 Pb\n0.787923 0.170872 0.371466 Pb\n0.712077 0.670872 0.871466 Pb\n0.287923 0.329128 0.128534 Pb\n0.778981 0.157512 0.933648 Pb\n0.221019 0.842488 0.066352 Pb\n0.278981 0.342488 0.566352 Pb\n0.721019 0.657512 0.433648 Pb\n0.245456 0.035542 0.786175 O\n0.754544 0.964458 0.213825 O\n0.745456 0.464458 0.713825 O\n0.254544 0.535542 0.286175 O\n0.519214 0.608254 0.600313 O\n0.480786 0.391746 0.399687 O\n0.019214 0.891746 0.899687 O\n0.980786 0.108254 0.100313 O\n0.485603 0.916592 0.906220 O\n0.514397 0.083408 0.093780 O\n0.985603 0.583408 0.593780 O\n0.014397 0.416592 0.406220 O\n0.500659 0.338906 0.861160 O\n0.499341 0.661094 0.138840 O\n0.000659 0.161094 0.638840 O\n0.999341 0.838906 0.361160 O\n0.321107 0.598534 0.955000 O\n0.678893 0.401466 0.045000 O\n0.821107 0.901466 0.545000 O\n0.178893 0.098534 0.455000 O\n0.271152 0.353368 0.720305 O\n0.728848 0.646632 0.279695 O\n0.771152 0.146632 0.779695 O\n0.228848 0.853368 0.220305 O\n0.785539 0.778102 0.720427 O\n0.214461 0.221898 0.279573 O\n0.285539 0.721898 0.779573 O\n0.714461 0.278102 0.220427 O\n0.194878 0.280800 0.984508 O\n0.805122 0.719200 0.015492 O\n0.694878 0.219200 0.515492 O\n0.305122 0.780800 0.484508 O\n0.009952 0.387442 0.856217 O\n0.990048 0.612558 0.143783 O\n0.509952 0.112558 0.643783 O\n0.490048 0.887442 0.356217 O\n","nsites":56,"nelements":5,"elements":["Cr","Cu","As","Pb","O"],"chemical_system":"As-Cr-Cu-O-Pb","density":6.078065344332684,"density_atomic":0.06842970304339004,"volume":818.3580741902593,"volume_molar":8.800477705100471,"formula_full":"Cr4 Cu4 As4 Pb8 O36","formula_reduced":"CrCuAsPb2O9","formula_anonymous":"ABCD2E9","energy":-368.87935202,"energy_per_atom":-6.587131286071428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-336.15135202,"band_gap":0.6524000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000843,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.125000Z","spacegroup":14},{"id":"mp-13008","created_at":"2022-09-04T14:40:40.553572Z","structure_string":"Nd2 Cr2 Ge6\n1.0\n3.082641 -5.339291 0.000000\n3.082641 5.339291 0.000000\n0.000000 0.000000 5.750085\nNd Cr Ge\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.192368 0.807632 0.250000 Ge\n0.192368 0.384735 0.250000 Ge\n0.615265 0.807632 0.250000 Ge\n0.807632 0.192368 0.750000 Ge\n0.807632 0.615265 0.750000 Ge\n0.384735 0.192368 0.750000 Ge\n","nsites":10,"nelements":3,"elements":["Nd","Cr","Ge"],"chemical_system":"Cr-Ge-Nd","density":7.266653480527608,"density_atomic":0.05283104462885547,"volume":189.2826475465556,"volume_molar":11.398867469508266,"formula_full":"Nd2 Cr2 Ge6","formula_reduced":"NdCrGe3","formula_anonymous":"ABC3","energy":-60.51713016,"energy_per_atom":-6.051713016,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.51713016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8131339,"is_theoretical":false,"updated_at":"2021-11-28T01:35:05.004000Z","spacegroup":194},{"id":"mp-1080277","created_at":"2022-09-04T14:40:40.575430Z","structure_string":"Ce6 Se12\n1.0\n4.116112 11.595588 0.000000\n-4.116112 11.595588 0.000000\n0.000000 9.213867 11.538753\nCe Se\n6 12\ndirect\n0.012101 0.987899 0.250000 Ce\n0.987899 0.012101 0.750000 Ce\n0.578729 0.086054 0.657203 Ce\n0.913946 0.421271 0.842797 Ce\n0.421271 0.913946 0.342797 Ce\n0.086054 0.578729 0.157203 Ce\n0.648041 0.780709 0.816257 Se\n0.219291 0.351959 0.683743 Se\n0.351959 0.219291 0.183743 Se\n0.780709 0.648041 0.316257 Se\n0.719559 0.071344 0.434015 Se\n0.928656 0.280441 0.065985 Se\n0.280441 0.928656 0.565985 Se\n0.071344 0.719559 0.934015 Se\n0.713353 0.138642 0.707692 Se\n0.861358 0.286647 0.792308 Se\n0.286647 0.861358 0.292308 Se\n0.138642 0.713353 0.207692 Se\n","nsites":18,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":2.695878043879583,"density_atomic":0.01634194230661406,"volume":1101.4602586569454,"volume_molar":36.8508262176563,"formula_full":"Ce6 Se12","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-102.79135529,"energy_per_atom":-5.710630849444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.12735529,"band_gap":0.9715,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002126,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.531000Z","spacegroup":15},{"id":"mp-729046","created_at":"2022-09-04T14:40:40.609145Z","structure_string":"Mn7 P6 H4 O24\n1.0\n6.643336 0.000000 0.000000\n-1.600947 7.988117 0.000000\n-3.240216 -3.185905 8.871069\nMn P H O\n7 6 4 24\ndirect\n0.000000 0.000000 0.000000 Mn\n0.039777 0.717785 0.511767 Mn\n0.960223 0.282215 0.488233 Mn\n0.287288 0.814771 0.285185 Mn\n0.712712 0.185229 0.714815 Mn\n0.380601 0.454958 0.105480 Mn\n0.619399 0.545042 0.894520 Mn\n0.227271 0.144541 0.781925 P\n0.772729 0.855459 0.218075 P\n0.591653 0.771187 0.614682 P\n0.408347 0.228813 0.385318 P\n0.083175 0.582515 0.821824 P\n0.916825 0.417485 0.178176 P\n0.582379 0.503359 0.402269 H\n0.417621 0.496641 0.597731 H\n0.179959 0.876024 0.807658 H\n0.820041 0.123976 0.192342 H\n0.298056 0.543107 0.908857 O\n0.701944 0.456893 0.091143 O\n0.123833 0.535698 0.168286 O\n0.876167 0.464302 0.831714 O\n0.021037 0.169648 0.670573 O\n0.978963 0.830352 0.329427 O\n0.553823 0.754249 0.221562 O\n0.446177 0.245751 0.778438 O\n0.102486 0.782083 0.892570 O\n0.897514 0.217917 0.107430 O\n0.487741 0.382588 0.321348 O\n0.512259 0.617412 0.678652 O\n0.719635 0.703515 0.521249 O\n0.280365 0.296485 0.478751 O\n0.274542 0.061728 0.243735 O\n0.725458 0.938272 0.756265 O\n0.618665 0.199774 0.489623 O\n0.381335 0.800226 0.510377 O\n0.052562 0.544172 0.654628 O\n0.947438 0.455828 0.345372 O\n0.221232 0.186637 0.941700 O\n0.778768 0.813363 0.058300 O\n0.788361 0.061102 0.268373 O\n0.211639 0.938898 0.731627 O\n","nsites":41,"nelements":4,"elements":["Mn","P","H","O"],"chemical_system":"H-Mn-O-P","density":3.3806577284600947,"density_atomic":0.08709179946710795,"volume":470.7676296834872,"volume_molar":6.914704710257352,"formula_full":"Mn7 P6 H4 O24","formula_reduced":"Mn7P6(HO6)4","formula_anonymous":"A4B6C7D24","energy":-326.64062429,"energy_per_atom":-7.966844494878049,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.47662429,"band_gap":2.7854,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":35.0034876,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.107000Z","spacegroup":2},{"id":"mp-887412","created_at":"2022-09-04T14:40:40.612472Z","structure_string":"Li12 Mn2 V6 P12 O48\n1.0\n4.438960 7.590268 0.000000\n-4.438960 7.590268 0.000000\n0.000000 4.663167 13.723688\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.857842 0.234185 0.761511 Li\n0.503015 0.245797 0.873285 Li\n0.765815 0.142158 0.238489 Li\n0.248966 0.998596 0.624811 Li\n0.641869 0.764642 0.488494 Li\n0.736653 0.857857 0.010686 Li\n0.263385 0.640703 0.736403 Li\n0.359297 0.736615 0.263597 Li\n0.754203 0.496985 0.126715 Li\n0.001404 0.751034 0.375189 Li\n0.235358 0.358131 0.511506 Li\n0.142143 0.263347 0.989314 Li\n0.677573 0.422713 0.340463 Mn\n0.577287 0.322427 0.659537 Mn\n0.424838 0.180882 0.087924 V\n0.316733 0.078152 0.411713 V\n0.921848 0.683267 0.588287 V\n0.182456 0.921879 0.837855 V\n0.819118 0.575162 0.912076 V\n0.078121 0.817544 0.162145 V\n0.867838 0.917583 0.758502 P\n0.631532 0.084558 0.494378 P\n0.827186 0.172814 0.000000 P\n0.082417 0.132162 0.241498 P\n0.674065 0.824394 0.250802 P\n0.581470 0.631206 0.741850 P\n0.419772 0.866887 0.006409 P\n0.318185 0.681815 0.500000 P\n0.915442 0.368468 0.505622 P\n0.175606 0.325935 0.749198 P\n0.368794 0.418530 0.258150 P\n0.133113 0.580228 0.993591 P\n0.718397 0.105775 0.767217 O\n0.615387 0.165222 0.579033 O\n0.669678 0.193326 0.394745 O\n0.838817 0.799573 0.856236 O\n0.880246 0.841243 0.672736 O\n0.192020 0.141914 0.746650 O\n0.898598 0.052526 0.093804 O\n0.452356 0.074250 0.509845 O\n0.947474 0.101402 0.906196 O\n0.106839 0.219127 0.509962 O\n0.780873 0.893161 0.490037 O\n0.643910 0.188629 0.996835 O\n0.858086 0.807980 0.253350 O\n0.158757 0.119754 0.327264 O\n0.659677 0.610456 0.828022 O\n0.554013 0.897882 0.344310 O\n0.200427 0.161183 0.143764 O\n0.390556 0.781352 0.737777 O\n0.603254 0.944991 0.156582 O\n0.693212 0.666298 0.643544 O\n0.048391 0.927193 0.740435 O\n0.432993 0.044748 0.989603 O\n0.302944 0.865215 0.503547 O\n0.925750 0.547644 0.490155 O\n0.072807 0.951609 0.259565 O\n0.685406 0.642768 0.247705 O\n0.570669 0.450951 0.755920 O\n0.955252 0.567007 0.010397 O\n0.307776 0.832266 0.105141 O\n0.387252 0.563013 0.594073 O\n0.610664 0.715089 0.011149 O\n0.806674 0.330322 0.605255 O\n0.436987 0.612748 0.405927 O\n0.340314 0.882906 0.921440 O\n0.834778 0.384613 0.420967 O\n0.134785 0.697056 0.496453 O\n0.357232 0.314594 0.752295 O\n0.218648 0.609444 0.262223 O\n0.894225 0.281603 0.232783 O\n0.055009 0.396746 0.843418 O\n0.549049 0.429331 0.244080 O\n0.102118 0.445987 0.655690 O\n0.811371 0.356090 0.003165 O\n0.117094 0.659686 0.078560 O\n0.167734 0.692224 0.894859 O\n0.333702 0.306788 0.356456 O\n0.389544 0.340323 0.171978 O\n0.284911 0.389336 0.988851 O\n","nsites":80,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.9420451135924384,"density_atomic":0.08650691276302554,"volume":924.7815861739236,"volume_molar":6.961456105244298,"formula_full":"Li12 Mn2 V6 P12 O48","formula_reduced":"Li6MnV3(PO4)6","formula_anonymous":"AB3C6D6E24","energy":-610.1737955799999,"energy_per_atom":-7.627172444749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-563.66179558,"band_gap":0.5895000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000246,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.466000Z","spacegroup":5},{"id":"mp-1201793","created_at":"2022-09-04T14:40:40.616272Z","structure_string":"Si20 H120 C40\n1.0\n9.949871 0.005985 0.257170\n3.579859 12.875339 1.108344\n0.015129 -0.003121 16.973920\nSi H C\n20 120 40\ndirect\n0.624229 0.269057 0.773468 Si\n0.375771 0.730943 0.226532 Si\n0.691284 0.220823 0.642570 Si\n0.308716 0.779177 0.357430 Si\n0.816382 0.042164 0.660382 Si\n0.183618 0.957836 0.339618 Si\n0.709240 0.965014 0.767032 Si\n0.290760 0.034986 0.232968 Si\n0.586540 0.111284 0.836432 Si\n0.413460 0.888716 0.163568 Si\n0.412756 0.405701 0.780164 Si\n0.587244 0.594299 0.219836 Si\n0.792297 0.323273 0.844233 Si\n0.207703 0.676727 0.155767 Si\n0.803534 0.321731 0.555292 Si\n0.196466 0.678269 0.444708 Si\n0.879600 0.838529 0.845181 Si\n0.120400 0.161471 0.154819 Si\n0.554926 0.876627 0.716812 Si\n0.445074 0.123373 0.283188 Si\n0.557224 0.180236 0.532380 H\n0.442776 0.819764 0.467620 H\n0.455259 0.188900 0.620563 H\n0.544741 0.811100 0.379437 H\n0.470526 0.303986 0.564916 H\n0.529474 0.696014 0.435084 H\n0.052110 0.070675 0.636319 H\n0.947890 0.929325 0.363681 H\n0.024901 0.052136 0.739929 H\n0.975099 0.947864 0.260071 H\n0.065416 0.943831 0.681112 H\n0.934584 0.056169 0.318888 H\n0.879898 0.894664 0.574681 H\n0.120102 0.105336 0.425319 H\n0.714672 0.976495 0.543840 H\n0.285328 0.023505 0.456160 H\n0.869268 0.013643 0.517642 H\n0.130732 0.986357 0.482358 H\n0.625286 0.018594 0.971236 H\n0.374714 0.981406 0.028764 H\n0.739141 0.100717 0.957687 H\n0.260859 0.899283 0.042313 H\n0.558355 0.154779 0.976725 H\n0.441645 0.845221 0.023275 H\n0.333975 0.191053 0.863832 H\n0.666025 0.808947 0.136168 H\n0.348909 0.124455 0.776509 H\n0.651091 0.875545 0.223491 H\n0.371713 0.053716 0.870869 H\n0.628287 0.946284 0.129131 H\n0.292707 0.409229 0.650555 H\n0.707293 0.590771 0.349445 H\n0.245074 0.319287 0.721084 H\n0.754926 0.680713 0.278916 H\n0.173095 0.454880 0.727416 H\n0.826905 0.545120 0.272584 H\n0.238750 0.479298 0.880887 H\n0.761250 0.520702 0.119113 H\n0.305497 0.344359 0.906192 H\n0.694503 0.655641 0.093808 H\n0.403673 0.431381 0.927136 H\n0.596327 0.568619 0.072864 H\n0.340088 0.594528 0.747273 H\n0.659912 0.405472 0.252727 H\n0.505301 0.561515 0.793916 H\n0.494699 0.438485 0.206084 H\n0.493867 0.540061 0.692641 H\n0.506133 0.459939 0.307359 H\n0.809217 0.377907 0.978496 H\n0.190783 0.622093 0.021504 H\n0.637215 0.432384 0.943000 H\n0.362785 0.567616 0.057000 H\n0.689715 0.300057 0.980998 H\n0.310285 0.699943 0.019002 H\n0.890940 0.424583 0.736455 H\n0.109060 0.575417 0.263545 H\n0.748200 0.508188 0.784651 H\n0.251800 0.491812 0.215349 H\n0.913170 0.461348 0.832317 H\n0.086830 0.538652 0.167683 H\n0.948945 0.145772 0.885832 H\n0.051055 0.854228 0.114168 H\n0.018779 0.204449 0.802113 H\n0.981221 0.795551 0.197887 H\n0.030011 0.246780 0.897363 H\n0.969989 0.753220 0.102637 H\n0.759821 0.505323 0.505916 H\n0.240179 0.494677 0.494084 H\n0.602965 0.485570 0.548767 H\n0.397035 0.514430 0.451233 H\n0.739209 0.497157 0.610346 H\n0.260791 0.502843 0.389654 H\n0.033368 0.360997 0.538761 H\n0.966632 0.639003 0.461239 H\n0.016318 0.310124 0.637341 H\n0.983682 0.689876 0.362659 H\n0.058187 0.225338 0.559958 H\n0.941813 0.774662 0.440042 H\n0.837975 0.204044 0.443238 H\n0.162025 0.795956 0.556762 H\n0.680538 0.305095 0.430027 H\n0.319462 0.694905 0.569973 H\n0.843593 0.331978 0.410217 H\n0.156407 0.668022 0.589783 H\n0.073690 0.832101 0.935319 H\n0.926310 0.167899 0.064681 H\n0.058387 0.937068 0.862260 H\n0.941613 0.062932 0.137740 H\n0.940476 0.949352 0.944147 H\n0.059524 0.050648 0.055853 H\n0.940530 0.695022 0.751774 H\n0.059470 0.304978 0.248226 H\n0.059499 0.773126 0.739249 H\n0.940501 0.226874 0.260751 H\n0.072015 0.683326 0.823323 H\n0.927985 0.316674 0.176677 H\n0.736973 0.808622 0.966541 H\n0.263027 0.191378 0.033459 H\n0.726473 0.722881 0.893903 H\n0.273527 0.277119 0.106097 H\n0.880615 0.700060 0.950534 H\n0.119385 0.299940 0.049466 H\n0.721272 0.775730 0.618140 H\n0.278728 0.224270 0.381860 H\n0.721876 0.697858 0.708354 H\n0.278124 0.302142 0.291646 H\n0.579385 0.721926 0.642569 H\n0.420615 0.278074 0.357431 H\n0.367805 0.798794 0.766650 H\n0.632195 0.201206 0.233350 H\n0.501706 0.771591 0.838523 H\n0.498294 0.228409 0.161477 H\n0.379171 0.895958 0.829023 H\n0.620829 0.104042 0.170977 H\n0.367208 0.910980 0.617915 H\n0.632792 0.089020 0.382085 H\n0.360245 0.027677 0.661784 H\n0.639755 0.972323 0.338216 H\n0.487906 0.983547 0.587813 H\n0.512094 0.016453 0.412187 H\n0.527103 0.223987 0.585068 C\n0.472897 0.776013 0.414932 C\n0.007688 0.026125 0.682274 C\n0.992312 0.973875 0.317726 C\n0.818053 0.976066 0.565097 C\n0.181947 0.023934 0.434903 C\n0.633747 0.094757 0.945613 C\n0.366253 0.905243 0.054387 C\n0.391996 0.121014 0.835957 C\n0.608004 0.878986 0.164043 C\n0.268635 0.394802 0.713172 C\n0.731365 0.605198 0.286828 C\n0.334847 0.414646 0.883626 C\n0.665153 0.585354 0.116374 C\n0.442914 0.537217 0.750656 C\n0.557086 0.462783 0.249344 C\n0.724109 0.361492 0.946007 C\n0.275891 0.638508 0.053993 C\n0.838986 0.440632 0.793737 C\n0.161014 0.559368 0.206263 C\n0.962874 0.219511 0.858441 C\n0.037126 0.780489 0.141559 C\n0.716736 0.465739 0.555949 C\n0.283264 0.534261 0.444051 C\n0.995511 0.302057 0.575302 C\n0.004489 0.697943 0.424698 C\n0.789060 0.286688 0.450237 C\n0.210940 0.713312 0.549763 C\n0.998393 0.895915 0.901736 C\n0.001607 0.104085 0.098264 C\n0.997890 0.739000 0.782980 C\n0.002110 0.261000 0.217021 C\n0.796219 0.761239 0.920878 C\n0.203781 0.238761 0.079122 C\n0.655591 0.757060 0.667173 C\n0.344409 0.242940 0.332827 C\n0.441199 0.832104 0.796009 C\n0.558801 0.167896 0.203991 C\n0.431563 0.958675 0.638944 C\n0.568437 0.041325 0.361056 C\n","nsites":180,"nelements":3,"elements":["Si","H","C"],"chemical_system":"C-H-Si","density":0.8883431736367119,"density_atomic":0.0827924160866329,"volume":2174.1121772753963,"volume_molar":7.27378308865695,"formula_full":"Si20 H120 C40","formula_reduced":"Si(H3C)2","formula_anonymous":"AB2C6","energy":-918.52162928,"energy_per_atom":-5.102897940444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-918.52162928,"band_gap":3.8564,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:04.036000Z","spacegroup":2},{"id":"mp-1309481","created_at":"2022-09-04T14:40:40.624743Z","structure_string":"Na4 Co2 O6\n1.0\n-0.000036 6.314035 -0.000023\n-5.395537 3.157050 -0.000017\n0.000005 -0.000019 5.187938\nNa Co O\n4 2 6\ndirect\n0.830321 0.674629 0.520386 Na\n0.495053 0.674628 0.020380 Na\n0.504949 0.325370 0.520381 Na\n0.169680 0.325372 0.020379 Na\n0.841245 0.000000 0.048516 Co\n0.158752 0.000001 0.548518 Co\n0.834588 0.726784 0.981163 O\n0.438631 0.726782 0.481164 O\n0.561369 0.273216 0.981158 O\n0.165411 0.273218 0.481164 O\n0.888603 0.999999 0.406395 O\n0.111398 0.000001 0.906394 O\n","nsites":12,"nelements":3,"elements":["Na","Co","O"],"chemical_system":"Co-Na-O","density":2.8733110596484104,"density_atomic":0.06789632337568942,"volume":176.7400560646065,"volume_molar":8.869612462927932,"formula_full":"Na4 Co2 O6","formula_reduced":"Na2CoO3","formula_anonymous":"AB2C3","energy":-66.93579633,"energy_per_atom":-5.5779830275,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.53779633,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9812808,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.054000Z","spacegroup":36}]}