{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12137","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=12135","results":[{"id":"mp-1203731","created_at":"2022-09-04T14:42:54.102816Z","structure_string":"Ga4 H60 C16 N8\n1.0\n8.761880 0.000000 0.000000\n0.000000 8.045077 0.000000\n-2.195758 0.000000 15.671058\nGa H C N\n4 60 16 8\ndirect\n0.237004 0.311705 0.102568 Ga\n0.762996 0.811705 0.397432 Ga\n0.762996 0.688295 0.897432 Ga\n0.237004 0.188295 0.602568 Ga\n0.981220 0.192693 0.136114 H\n0.018780 0.692693 0.363886 H\n0.018780 0.807307 0.863886 H\n0.981220 0.307307 0.636114 H\n0.129804 0.070230 0.190717 H\n0.870196 0.570230 0.309283 H\n0.870196 0.929770 0.809283 H\n0.129804 0.429770 0.690717 H\n0.082387 0.265725 0.233159 H\n0.917613 0.765725 0.266841 H\n0.917613 0.734275 0.766841 H\n0.082387 0.234275 0.733159 H\n0.388313 0.223291 0.977133 H\n0.611687 0.723291 0.522867 H\n0.611687 0.776709 0.022867 H\n0.388313 0.276709 0.477133 H\n0.288738 0.048405 0.011932 H\n0.711262 0.548405 0.488068 H\n0.711262 0.951595 0.988068 H\n0.288738 0.451595 0.511932 H\n0.186263 0.203534 0.948487 H\n0.813737 0.703534 0.551513 H\n0.813737 0.796466 0.051513 H\n0.186263 0.296466 0.448487 H\n0.197956 0.617741 0.150947 H\n0.802044 0.117741 0.349053 H\n0.802044 0.382259 0.849053 H\n0.197956 0.882259 0.650947 H\n0.319706 0.615157 0.069111 H\n0.680294 0.115157 0.430889 H\n0.680294 0.384843 0.930889 H\n0.319706 0.884843 0.569111 H\n0.118574 0.590689 0.043092 H\n0.881426 0.090689 0.456908 H\n0.881426 0.409311 0.956908 H\n0.118574 0.909311 0.543092 H\n0.474338 0.168147 0.202596 H\n0.525662 0.668147 0.297404 H\n0.525662 0.831853 0.797404 H\n0.474338 0.331853 0.702596 H\n0.348971 0.364151 0.285572 H\n0.651029 0.864151 0.214428 H\n0.651029 0.635849 0.714428 H\n0.348971 0.135849 0.785572 H\n0.534355 0.330189 0.314528 H\n0.465645 0.830189 0.185472 H\n0.465645 0.669811 0.685472 H\n0.534355 0.169811 0.814528 H\n0.702285 0.338899 0.200118 H\n0.297715 0.838899 0.299882 H\n0.297715 0.661101 0.799882 H\n0.702285 0.161101 0.700118 H\n0.612952 0.269561 0.097747 H\n0.387048 0.769561 0.402253 H\n0.387048 0.730439 0.902253 H\n0.612952 0.230439 0.597747 H\n0.582991 0.477739 0.131615 H\n0.417009 0.977739 0.368385 H\n0.417009 0.522261 0.868385 H\n0.582991 0.022261 0.631615 H\n0.598252 0.348424 0.152582 C\n0.401748 0.848424 0.347418 C\n0.401748 0.651576 0.847418 C\n0.598252 0.151576 0.652582 C\n0.096397 0.199040 0.174054 C\n0.903603 0.699040 0.325946 C\n0.903603 0.800960 0.825946 C\n0.096397 0.300960 0.674054 C\n0.281706 0.183102 0.000482 C\n0.718294 0.683102 0.499518 C\n0.718294 0.816898 0.999518 C\n0.281706 0.316898 0.500482 C\n0.217677 0.558388 0.090795 C\n0.782323 0.058388 0.409205 C\n0.782323 0.441612 0.909205 C\n0.217677 0.941612 0.590795 C\n0.460994 0.292922 0.189117 N\n0.539006 0.792922 0.310883 N\n0.539006 0.707078 0.810883 N\n0.460994 0.207078 0.689117 N\n0.456062 0.383358 0.268204 N\n0.543938 0.883358 0.231796 N\n0.543938 0.616642 0.731796 N\n0.456062 0.116642 0.768204 N\n","nsites":88,"nelements":4,"elements":["Ga","H","C","N"],"chemical_system":"C-Ga-H-N","density":0.9674637921315218,"density_atomic":0.0796630350013157,"volume":1104.652866898011,"volume_molar":7.5595171084061,"formula_full":"Ga4 H60 C16 N8","formula_reduced":"GaH15(C2N)2","formula_anonymous":"AB2C4D15","energy":-443.46779878,"energy_per_atom":-5.039406804318182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-440.57979878,"band_gap":4.0135000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.08212,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.170000Z","spacegroup":14},{"id":"mp-1202771","created_at":"2022-09-04T14:42:54.105595Z","structure_string":"Yb6 Ge26 Ru8\n1.0\n9.023238 0.000000 0.000000\n0.000000 9.023238 0.000000\n0.000000 0.000000 9.023238\nYb Ge Ru\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Yb\n0.500000 0.250000 0.000000 Yb\n0.750000 0.000000 0.500000 Yb\n0.000000 0.500000 0.250000 Yb\n0.500000 0.750000 0.000000 Yb\n0.250000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.810836 0.351514 0.500000 Ge\n0.648486 0.500000 0.810836 Ge\n0.500000 0.189164 0.648486 Ge\n0.189164 0.648486 0.500000 Ge\n0.351514 0.500000 0.189164 Ge\n0.500000 0.810836 0.351514 Ge\n0.810836 0.648486 0.500000 Ge\n0.648486 0.500000 0.189164 Ge\n0.189164 0.351514 0.500000 Ge\n0.351514 0.500000 0.810836 Ge\n0.500000 0.810836 0.648486 Ge\n0.500000 0.189164 0.351514 Ge\n0.310836 0.000000 0.851514 Ge\n0.148486 0.310836 0.000000 Ge\n0.000000 0.148486 0.689164 Ge\n0.689164 0.000000 0.148486 Ge\n0.851514 0.689164 0.000000 Ge\n0.000000 0.851514 0.310836 Ge\n0.310836 0.000000 0.148486 Ge\n0.148486 0.689164 0.000000 Ge\n0.689164 0.000000 0.851514 Ge\n0.851514 0.310836 0.000000 Ge\n0.000000 0.148486 0.310836 Ge\n0.000000 0.851514 0.689164 Ge\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n","nsites":40,"nelements":3,"elements":["Yb","Ge","Ru"],"chemical_system":"Ge-Ru-Yb","density":8.443132885065207,"density_atomic":0.05444684932090332,"volume":734.6614266740157,"volume_molar":11.060586305933352,"formula_full":"Yb6 Ge26 Ru8","formula_reduced":"Yb3Ge13Ru4","formula_anonymous":"A3B4C13","energy":-218.17989016,"energy_per_atom":-5.4544972540000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.17989016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.031989,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.808000Z","spacegroup":223},{"id":"mp-849800","created_at":"2022-09-04T14:42:54.107551Z","structure_string":"H56 S8 I8 O80\n1.0\n-9.392435 9.392435 4.608295\n9.392435 -9.392435 4.608295\n9.392435 9.392435 -4.608295\nH S I O\n56 8 8 80\ndirect\n0.585557 0.734562 0.261743 H\n0.045324 0.170101 0.273568 H\n0.046251 0.170972 0.441647 H\n0.565496 0.697673 0.449682 H\n0.420101 0.646533 0.624778 H\n0.365814 0.315496 0.367824 H\n0.984562 0.222820 0.649005 H\n0.854604 0.796251 0.375280 H\n0.420972 0.479325 0.624720 H\n0.573815 0.335557 0.350995 H\n0.947673 0.997991 0.632176 H\n0.021756 0.795324 0.375222 H\n0.247991 0.115814 0.550318 H\n0.729325 0.604604 0.558353 H\n0.231218 0.855278 0.302921 H\n0.697643 0.821703 0.802921 H\n0.632668 0.168805 0.316080 H\n0.397275 0.433413 0.816080 H\n0.125510 0.199823 0.875702 H\n0.925879 0.500192 0.375702 H\n0.896533 0.771756 0.726432 H\n0.683413 0.367332 0.536137 H\n0.418805 0.602725 0.036137 H\n0.472820 0.323815 0.738257 H\n0.071703 0.768782 0.624060 H\n0.105278 0.302357 0.124060 H\n0.750192 0.874490 0.074313 H\n0.449823 0.074121 0.574313 H\n0.800177 0.675879 0.925687 H\n0.499808 0.875510 0.425687 H\n0.178297 0.981218 0.875940 H\n0.144722 0.447643 0.375940 H\n0.777180 0.426185 0.761743 H\n0.831195 0.147275 0.463863 H\n0.566587 0.382668 0.963863 H\n0.353467 0.978244 0.773568 H\n0.124490 0.550177 0.624298 H\n0.324121 0.249808 0.124298 H\n0.617332 0.581195 0.183920 H\n0.852725 0.316587 0.683920 H\n0.018782 0.894722 0.197079 H\n0.552357 0.928297 0.697079 H\n0.520675 0.145396 0.941647 H\n0.002009 0.634186 0.949682 H\n0.228244 0.954676 0.124778 H\n0.302327 0.752009 0.867824 H\n0.676185 0.414443 0.149005 H\n0.829028 0.270675 0.875280 H\n0.395396 0.953749 0.124720 H\n0.265438 0.527180 0.850995 H\n0.884186 0.434504 0.132176 H\n0.829899 0.103467 0.875222 H\n0.684504 0.052327 0.050318 H\n0.203749 0.579028 0.058353 H\n0.204676 0.579899 0.226432 H\n0.664443 0.015438 0.238257 H\n0.361907 0.431596 0.280450 S\n0.681596 0.901146 0.569688 S\n0.331457 0.111907 0.430312 S\n0.151146 0.081457 0.719550 S\n0.098854 0.668543 0.780450 S\n0.918543 0.638093 0.069688 S\n0.568404 0.848854 0.930312 S\n0.888093 0.318404 0.219550 S\n0.123915 0.358922 0.962221 I\n0.853299 0.588306 0.462221 I\n0.411694 0.873915 0.264992 I\n0.641078 0.603299 0.764992 I\n0.608922 0.146701 0.735008 I\n0.838306 0.876085 0.235008 I\n0.126085 0.391078 0.537779 I\n0.396701 0.161694 0.037779 I\n0.457040 0.596637 0.321959 O\n0.967482 0.088912 0.309083 O\n0.823906 0.839785 0.363367 O\n0.364530 0.386339 0.377408 O\n0.089785 0.226418 0.515879 O\n0.636339 0.758931 0.521809 O\n0.338912 0.529829 0.621431 O\n0.846637 0.024679 0.639598 O\n0.385081 0.207040 0.360402 O\n0.908398 0.717482 0.378569 O\n0.237122 0.114530 0.478191 O\n0.710539 0.573906 0.484121 O\n0.203205 0.417740 0.850324 O\n0.682584 0.397119 0.350324 O\n0.008931 0.987122 0.622592 O\n0.476418 0.460539 0.636633 O\n0.686242 0.912925 0.877424 O\n0.214499 0.941182 0.377424 O\n0.217378 0.787535 0.250022 O\n0.712487 0.782644 0.750022 O\n0.204851 0.216318 0.780812 O\n0.814494 0.325961 0.280812 O\n0.499271 0.553200 0.831885 O\n0.528685 0.082614 0.331885 O\n0.466318 0.185506 0.511467 O\n0.575961 0.795149 0.011467 O\n0.779829 0.658398 0.690917 O\n0.274679 0.135081 0.678041 O\n0.990674 0.602597 0.428081 O\n0.075484 0.187408 0.928081 O\n0.037535 0.287513 0.070157 O\n0.032644 0.782622 0.570157 O\n0.332614 0.500729 0.053928 O\n0.803200 0.471315 0.553928 O\n0.087075 0.964499 0.773317 O\n0.058818 0.436242 0.273317 O\n0.582260 0.432584 0.785465 O\n0.602881 0.953205 0.285465 O\n0.397403 0.825484 0.388076 O\n0.812592 0.740674 0.888076 O\n0.437408 0.009326 0.611924 O\n0.852597 0.924516 0.111924 O\n0.667740 0.317416 0.714535 O\n0.647119 0.796795 0.214535 O\n0.162925 0.785501 0.726683 O\n0.191182 0.313758 0.226683 O\n0.917386 0.249271 0.446072 O\n0.446800 0.278685 0.946072 O\n0.212465 0.462487 0.429843 O\n0.217356 0.967378 0.929843 O\n0.174516 0.562592 0.571919 O\n0.259326 0.147403 0.071919 O\n0.975321 0.614919 0.821959 O\n0.470171 0.091602 0.809083 O\n0.674039 0.954851 0.488533 O\n0.783682 0.564494 0.988533 O\n0.750729 0.196800 0.668115 O\n0.721315 0.667386 0.168115 O\n0.045149 0.533682 0.719188 O\n0.435506 0.424039 0.219188 O\n0.032622 0.962465 0.249978 O\n0.537513 0.967356 0.749978 O\n0.563758 0.837075 0.622576 O\n0.035501 0.808818 0.122576 O\n0.773582 0.289461 0.863367 O\n0.241069 0.762878 0.877408 O\n0.046795 0.332260 0.649676 O\n0.567416 0.352881 0.149676 O\n0.539461 0.176094 0.015879 O\n0.012878 0.635470 0.021809 O\n0.341602 0.032518 0.121431 O\n0.864919 0.542960 0.139598 O\n0.403363 0.725321 0.860402 O\n0.911088 0.220171 0.878569 O\n0.613661 0.991069 0.978191 O\n0.160215 0.523582 0.984121 O\n0.885470 0.363661 0.122592 O\n0.426094 0.910215 0.136633 O\n0.282518 0.661088 0.190917 O\n0.792960 0.153363 0.178041 O\n","nsites":152,"nelements":4,"elements":["H","S","I","O"],"chemical_system":"H-I-O-S","density":2.6633325789832782,"density_atomic":0.09347316055629357,"volume":1626.1352359906462,"volume_molar":6.442641635481244,"formula_full":"H56 S8 I8 O80","formula_reduced":"H7SIO10","formula_anonymous":"ABC7D10","energy":-814.5640470700001,"energy_per_atom":-5.3589739938815795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-759.60404707,"band_gap":2.5417,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:59.416000Z","spacegroup":88},{"id":"mp-541236","created_at":"2022-09-04T14:42:54.108869Z","structure_string":"Na20 Hf4 As12\n1.0\n7.565783 0.000000 0.000000\n0.000000 8.512119 0.000000\n0.000000 8.405040 13.930372\nNa Hf As\n20 4 12\ndirect\n0.491463 0.917010 0.262507 Na\n0.991463 0.082990 0.237493 Na\n0.508537 0.082990 0.737493 Na\n0.008537 0.917010 0.762507 Na\n0.011412 0.260760 0.407206 Na\n0.511412 0.739240 0.092794 Na\n0.988588 0.739240 0.592794 Na\n0.488588 0.260760 0.907206 Na\n0.471982 0.595323 0.584808 Na\n0.971982 0.404677 0.915192 Na\n0.528018 0.404677 0.415192 Na\n0.028018 0.595323 0.084808 Na\n0.844558 0.679647 0.242773 Na\n0.344558 0.320353 0.257227 Na\n0.155442 0.320353 0.757227 Na\n0.655442 0.679647 0.742773 Na\n0.664311 0.002079 0.419237 Na\n0.164311 0.997921 0.080763 Na\n0.335689 0.997921 0.580763 Na\n0.835689 0.002079 0.919237 Na\n0.142100 0.660672 0.413941 Hf\n0.642100 0.339328 0.086059 Hf\n0.857900 0.339328 0.586059 Hf\n0.357900 0.660672 0.913941 Hf\n0.793352 0.657837 0.429989 As\n0.293352 0.342163 0.070011 As\n0.206648 0.342163 0.570011 As\n0.706648 0.657837 0.929989 As\n0.257440 0.943792 0.417329 As\n0.757440 0.056208 0.082671 As\n0.742560 0.056208 0.582671 As\n0.242560 0.943792 0.917329 As\n0.237231 0.646434 0.265236 As\n0.737231 0.353566 0.234764 As\n0.762769 0.353566 0.734764 As\n0.262769 0.646434 0.765236 As\n","nsites":36,"nelements":3,"elements":["Na","Hf","As"],"chemical_system":"As-Hf-Na","density":3.8366772957021618,"density_atomic":0.04012806510436635,"volume":897.1277310872091,"volume_molar":15.007304100851668,"formula_full":"Na20 Hf4 As12","formula_reduced":"Na5HfAs3","formula_anonymous":"AB3C5","energy":-143.1414213,"energy_per_atom":-3.9761505916666664,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-143.1414213,"band_gap":0.8393999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001421,"is_theoretical":false,"updated_at":"2021-11-28T01:35:58.946000Z","spacegroup":14},{"id":"mp-1094252","created_at":"2022-09-04T14:42:54.113539Z","structure_string":"Mg2 Sn4\n1.0\n1.692246 6.521877 0.000000\n-1.692246 6.521877 0.000000\n0.000000 2.149874 6.978297\nMg Sn\n2 4\ndirect\n0.529126 0.529126 0.199246 Mg\n0.470874 0.470874 0.800754 Mg\n0.817667 0.817667 0.135283 Sn\n0.132993 0.132993 0.466240 Sn\n0.867007 0.867007 0.533760 Sn\n0.182333 0.182333 0.864717 Sn\n","nsites":6,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":5.642983189291873,"density_atomic":0.03895253309845044,"volume":154.03362818113322,"volume_molar":15.460203178004782,"formula_full":"Mg2 Sn4","formula_reduced":"MgSn2","formula_anonymous":"AB2","energy":-19.39569409,"energy_per_atom":-3.2326156816666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.39569409,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.002566,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.265000Z","spacegroup":12},{"id":"mp-1095722","created_at":"2022-09-04T14:42:54.142147Z","structure_string":"Be1 B1 Ir2\n1.0\n-4.138199 4.651378 6.577421\n4.138199 -4.651378 6.577421\n4.138199 4.651378 -6.577421\nBe B Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 B\n0.000000 0.269763 0.269763 Ir\n0.000000 0.730237 0.730237 Ir\n","nsites":4,"nelements":3,"elements":["Be","B","Ir"],"chemical_system":"B-Be-Ir","density":1.3255563789557248,"density_atomic":0.007898622419176635,"volume":506.4174216365398,"volume_molar":76.24292491028781,"formula_full":"Be1 B1 Ir2","formula_reduced":"BeBIr2","formula_anonymous":"ABC2","energy":-16.25383162,"energy_per_atom":-4.063457905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.25383162,"band_gap":0.0,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9998288,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.518000Z","spacegroup":71},{"id":"mp-1518887","created_at":"2022-09-04T14:42:54.117102Z","structure_string":"Sr2 Ca2 La2 Bi2 O12\n1.0\n5.977058 0.000000 -0.000000\n0.000000 5.977058 0.000000\n-0.000000 0.000000 8.636553\nSr Ca La Bi O\n2 2 2 2 12\ndirect\n0.500000 0.000000 0.250000 Sr\n0.000000 0.500000 0.750000 Sr\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.500000 0.250000 La\n0.500000 0.000000 0.750000 La\n0.000000 -0.000000 -0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.243642 O\n0.500000 0.500000 0.256358 O\n0.000000 0.000000 0.756358 O\n0.500000 0.500000 0.743642 O\n0.320007 0.157018 0.986623 O\n0.679993 0.842982 0.986623 O\n0.842982 0.320007 0.013377 O\n0.157018 0.679993 0.013377 O\n0.820007 0.342982 0.486623 O\n0.179993 0.657018 0.486623 O\n0.342982 0.179993 0.513377 O\n0.657018 0.820007 0.513377 O\n","nsites":20,"nelements":5,"elements":["Sr","Ca","La","Bi","O"],"chemical_system":"Bi-Ca-La-O-Sr","density":6.152348662435964,"density_atomic":0.06482083376074352,"volume":308.54277613615494,"volume_molar":9.290440141865469,"formula_full":"Sr2 Ca2 La2 Bi2 O12","formula_reduced":"SrCaLaBiO6","formula_anonymous":"ABCDE6","energy":-139.31621875,"energy_per_atom":-6.9658109375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-131.07221875,"band_gap":2.0322,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":7.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.472000Z","spacegroup":118},{"id":"mp-556399","created_at":"2022-09-04T14:42:54.122181Z","structure_string":"La4 Ti4 I20 O64\n1.0\n18.242493 0.000000 0.000000\n0.000000 7.524046 0.000000\n0.000000 7.216284 10.645719\nLa Ti I O\n4 4 20 64\ndirect\n0.233220 0.982996 0.258799 La\n0.266780 0.982996 0.758799 La\n0.766780 0.017004 0.741201 La\n0.733220 0.017004 0.241201 La\n0.501701 0.498657 0.765735 Ti\n0.001701 0.501343 0.734265 Ti\n0.998299 0.498657 0.265735 Ti\n0.498299 0.501343 0.234265 Ti\n0.622034 0.473315 0.432969 I\n0.368165 0.117678 0.449319 I\n0.505334 0.989999 0.246882 I\n0.877966 0.473315 0.932969 I\n0.679829 0.324113 0.900932 I\n0.663747 0.666602 0.062910 I\n0.994666 0.989999 0.746882 I\n0.377966 0.526685 0.567031 I\n0.336253 0.333398 0.937090 I\n0.179829 0.675887 0.599068 I\n0.320171 0.675887 0.099068 I\n0.122034 0.526685 0.067031 I\n0.494666 0.010001 0.753118 I\n0.820171 0.324113 0.400932 I\n0.836253 0.666602 0.562910 I\n0.005334 0.010001 0.253118 I\n0.163747 0.333398 0.437090 I\n0.131835 0.117678 0.949319 I\n0.631835 0.882322 0.550681 I\n0.868165 0.882322 0.050681 I\n0.200386 0.203999 0.019391 O\n0.417210 0.697335 0.139089 O\n0.587215 0.351078 0.350371 O\n0.096875 0.998795 0.198298 O\n0.912785 0.351078 0.850371 O\n0.168927 0.596828 0.414614 O\n0.700386 0.796001 0.480609 O\n0.305196 0.737252 0.479826 O\n0.194804 0.737252 0.979826 O\n0.176070 0.944112 0.451506 O\n0.226274 0.729336 0.704375 O\n0.299614 0.203999 0.519391 O\n0.403125 0.998795 0.698298 O\n0.694804 0.262748 0.520174 O\n0.726274 0.270664 0.795625 O\n0.323930 0.944112 0.951506 O\n0.582790 0.302665 0.860911 O\n0.182982 0.212457 0.805443 O\n0.948188 0.103381 0.114813 O\n0.069735 0.349850 0.890645 O\n0.087215 0.648922 0.149629 O\n0.512628 0.702096 0.792515 O\n0.936054 0.682657 0.587528 O\n0.823930 0.055888 0.548494 O\n0.185767 0.340409 0.191027 O\n0.987372 0.702096 0.292515 O\n0.668927 0.403172 0.085386 O\n0.524129 0.691285 0.302668 O\n0.331073 0.596828 0.914614 O\n0.024129 0.308715 0.197332 O\n0.317018 0.212457 0.305443 O\n0.563946 0.682657 0.087528 O\n0.831073 0.403172 0.585386 O\n0.341506 0.164049 0.107773 O\n0.487372 0.297904 0.207485 O\n0.012628 0.297904 0.707485 O\n0.930265 0.650150 0.109355 O\n0.676070 0.055888 0.048494 O\n0.975871 0.691285 0.802668 O\n0.158494 0.164049 0.607773 O\n0.917210 0.302665 0.360911 O\n0.082790 0.697335 0.639089 O\n0.551812 0.103381 0.614813 O\n0.841506 0.835951 0.392227 O\n0.814233 0.659591 0.808973 O\n0.430265 0.349850 0.390645 O\n0.475871 0.308715 0.697332 O\n0.685767 0.659591 0.308973 O\n0.412785 0.648922 0.649629 O\n0.436054 0.317343 0.912472 O\n0.569735 0.650150 0.609355 O\n0.063946 0.317343 0.412472 O\n0.051812 0.896619 0.885187 O\n0.903125 0.001205 0.801702 O\n0.773726 0.270664 0.295625 O\n0.314233 0.340409 0.691027 O\n0.596875 0.001205 0.301702 O\n0.273726 0.729336 0.204375 O\n0.805196 0.262748 0.020174 O\n0.448188 0.896619 0.385187 O\n0.799614 0.796001 0.980609 O\n0.658494 0.835951 0.892227 O\n0.817018 0.787543 0.194557 O\n0.682982 0.787543 0.694557 O\n","nsites":92,"nelements":4,"elements":["La","Ti","I","O"],"chemical_system":"I-La-O-Ti","density":4.8969893718075115,"density_atomic":0.0629618091364069,"volume":1461.203247840001,"volume_molar":9.564751779849622,"formula_full":"La4 Ti4 I20 O64","formula_reduced":"LaTiI5O16","formula_anonymous":"ABC5D16","energy":-540.53299199,"energy_per_atom":-5.875358608586957,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-496.56499199000007,"band_gap":2.6177,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0041504,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.156000Z","spacegroup":14},{"id":"mp-1228311","created_at":"2022-09-04T14:42:54.121620Z","structure_string":"Ba4 Tl4 Cu2 O11\n1.0\n0.000000 5.563771 0.000000\n5.628430 0.000000 0.020678\n-0.043376 2.781885 -11.865579\nBa Tl Cu O\n4 4 2 11\ndirect\n0.916210 0.500453 0.167580 Ba\n0.077604 0.498354 0.844791 Ba\n0.580790 0.998783 0.838420 Ba\n0.416911 0.000431 0.166178 Ba\n0.292894 0.504975 0.414211 Tl\n0.704530 0.512482 0.590939 Tl\n0.204752 0.982352 0.590495 Tl\n0.798707 0.015751 0.402585 Tl\n0.497902 0.500222 0.004197 Cu\n0.999653 0.999781 0.000694 Cu\n0.383768 0.504713 0.232463 O\n0.619262 0.496971 0.761476 O\n0.119168 0.996781 0.761664 O\n0.884102 0.994791 0.231795 O\n0.250341 0.250227 0.998520 O\n0.250541 0.749978 0.998449 O\n0.751010 0.749978 0.998449 O\n0.751138 0.250227 0.998520 O\n0.790028 0.436588 0.419945 O\n0.290116 0.052936 0.419767 O\n0.711770 0.942225 0.576460 O\n","nsites":21,"nelements":4,"elements":["Ba","Tl","Cu","O"],"chemical_system":"Ba-Cu-O-Tl","density":7.462886933041298,"density_atomic":0.056517074920998445,"volume":371.56912365607275,"volume_molar":10.655436022508171,"formula_full":"Ba4 Tl4 Cu2 O11","formula_reduced":"Ba4Tl4Cu2O11","formula_anonymous":"A2B4C4D11","energy":-116.27032878,"energy_per_atom":-5.536682322857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.71332878,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0014584,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.173000Z","spacegroup":8},{"id":"mp-775341","created_at":"2022-09-04T14:42:54.126281Z","structure_string":"Na16 Cr4 H32 S4 O28\n1.0\n13.866211 0.000000 0.000000\n0.000000 5.831408 0.000000\n0.000000 2.684101 10.942997\nNa Cr H S O\n16 4 32 4 28\ndirect\n0.684554 0.990705 0.763480 Na\n0.055746 0.749579 0.995098 Na\n0.297878 0.753514 0.975037 Na\n0.815446 0.990705 0.263480 Na\n0.444254 0.749579 0.495098 Na\n0.202122 0.753514 0.475037 Na\n0.793110 0.498544 0.777353 Na\n0.293110 0.501456 0.722647 Na\n0.706890 0.498544 0.277353 Na\n0.206890 0.501456 0.222647 Na\n0.797878 0.246486 0.524963 Na\n0.555746 0.250421 0.504902 Na\n0.184554 0.009295 0.736520 Na\n0.702122 0.246486 0.024963 Na\n0.944254 0.250421 0.004902 Na\n0.315446 0.009295 0.236520 Na\n0.686263 0.750568 0.516335 Cr\n0.813737 0.750568 0.016335 Cr\n0.186263 0.249432 0.983665 Cr\n0.313737 0.249432 0.483665 Cr\n0.356962 0.900848 0.661241 H\n0.463512 0.773840 0.853151 H\n0.923197 0.761144 0.828923 H\n0.850812 0.839058 0.612856 H\n0.642649 0.673677 0.948164 H\n0.551917 0.749913 0.682098 H\n0.122227 0.573908 0.815776 H\n0.143038 0.900848 0.161241 H\n0.036488 0.773840 0.353151 H\n0.576803 0.761144 0.328923 H\n0.649188 0.839058 0.112856 H\n0.464076 0.491577 0.862786 H\n0.857351 0.673677 0.448164 H\n0.948083 0.749913 0.182098 H\n0.964076 0.508423 0.637214 H\n0.622227 0.426092 0.684224 H\n0.377773 0.573908 0.315776 H\n0.035924 0.491577 0.362786 H\n0.051917 0.250087 0.817902 H\n0.142649 0.326323 0.551836 H\n0.535924 0.508423 0.137214 H\n0.350812 0.160942 0.887144 H\n0.423197 0.238856 0.671077 H\n0.963512 0.226160 0.646849 H\n0.856962 0.099152 0.838759 H\n0.877773 0.426092 0.184224 H\n0.448083 0.250087 0.317902 H\n0.357351 0.326323 0.051836 H\n0.149188 0.160942 0.387144 H\n0.076803 0.238856 0.171077 H\n0.536488 0.226160 0.146849 H\n0.643038 0.099152 0.338759 H\n0.014770 0.906672 0.591806 S\n0.485230 0.906672 0.091806 S\n0.514770 0.093328 0.908194 S\n0.985230 0.093328 0.408194 S\n0.307789 0.914833 0.597987 O\n0.580084 0.864209 0.613342 O\n0.781494 0.855335 0.628287 O\n0.706343 0.636906 0.920595 O\n0.910223 0.642688 0.904390 O\n0.428492 0.641199 0.829527 O\n0.177229 0.584719 0.868110 O\n0.192211 0.914833 0.097987 O\n0.919916 0.864209 0.113342 O\n0.718506 0.855335 0.128287 O\n0.793657 0.636906 0.420595 O\n0.589777 0.642688 0.404390 O\n0.071508 0.641199 0.329527 O\n0.322771 0.584719 0.368110 O\n0.677229 0.415281 0.631890 O\n0.928492 0.358801 0.670473 O\n0.410223 0.357312 0.595610 O\n0.206343 0.363094 0.579405 O\n0.281494 0.144665 0.871713 O\n0.080084 0.135791 0.886658 O\n0.807789 0.085167 0.902013 O\n0.822771 0.415281 0.131890 O\n0.571508 0.358801 0.170473 O\n0.089777 0.357312 0.095610 O\n0.293657 0.363094 0.079405 O\n0.218506 0.144665 0.371713 O\n0.419916 0.135791 0.386658 O\n0.692211 0.085167 0.402013 O\n","nsites":84,"nelements":5,"elements":["Na","Cr","H","S","O"],"chemical_system":"Cr-H-Na-O-S","density":2.2225416600196177,"density_atomic":0.09493181256548172,"volume":884.8456353033266,"volume_molar":6.343648769843164,"formula_full":"Na16 Cr4 H32 S4 O28","formula_reduced":"Na4CrH8SO7","formula_anonymous":"ABC4D7E8","energy":-452.1912721700001,"energy_per_atom":-5.3832294305952395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-422.94727217,"band_gap":2.4186,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.7077848,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.419000Z","spacegroup":14},{"id":"mp-829746","created_at":"2022-09-04T14:42:54.129113Z","structure_string":"Li7 Mn3 Fe1 P6 O24\n1.0\n7.595042 -4.458914 0.000000\n7.595042 4.458914 0.000000\n4.977292 0.000000 7.265889\nLi Mn Fe P O\n7 3 1 6 24\ndirect\n0.648963 0.234592 0.817838 Li\n0.234592 0.817838 0.648963 Li\n0.224576 0.398196 0.722121 Li\n0.015848 0.015848 0.015848 Li\n0.817838 0.648963 0.234592 Li\n0.722121 0.224576 0.398196 Li\n0.398196 0.722121 0.224576 Li\n0.850491 0.850491 0.850491 Mn\n0.352531 0.352531 0.352531 Mn\n0.646139 0.646139 0.646139 Mn\n0.146501 0.146501 0.146501 Fe\n0.245041 0.542100 0.962040 P\n0.962040 0.245041 0.542100 P\n0.542100 0.962040 0.245041 P\n0.447658 0.050234 0.748732 P\n0.050234 0.748732 0.447658 P\n0.748732 0.447658 0.050234 P\n0.127235 0.287864 0.509013 O\n0.509013 0.127235 0.287864 O\n0.287864 0.509013 0.127235 O\n0.077598 0.722917 0.947270 O\n0.401470 0.566973 0.775509 O\n0.201306 0.378742 0.985151 O\n0.947270 0.077598 0.722917 O\n0.775509 0.401470 0.566973 O\n0.566973 0.775509 0.401470 O\n0.608657 0.032472 0.791933 O\n0.256445 0.097379 0.899903 O\n0.032472 0.791933 0.608657 O\n0.985151 0.201306 0.378742 O\n0.722917 0.947270 0.077598 O\n0.378742 0.985151 0.201306 O\n0.444107 0.229886 0.574706 O\n0.229886 0.574706 0.444107 O\n0.097379 0.899903 0.256445 O\n0.791933 0.608657 0.032472 O\n0.574706 0.444107 0.229886 O\n0.899903 0.256445 0.097379 O\n0.717839 0.473877 0.883118 O\n0.473877 0.883118 0.717839 O\n0.883118 0.717839 0.473877 O\n","nsites":41,"nelements":5,"elements":["Li","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mn-O-P","density":2.83120612953449,"density_atomic":0.08331166733954909,"volume":492.12794929308524,"volume_molar":7.228448250178298,"formula_full":"Li7 Mn3 Fe1 P6 O24","formula_reduced":"Li7Mn3Fe(PO4)6","formula_anonymous":"AB3C6D7E24","energy":-303.25450022,"energy_per_atom":-7.396451224878049,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.50650022,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.9994379,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.789000Z","spacegroup":146},{"id":"mp-1102490","created_at":"2022-09-04T14:42:54.134974Z","structure_string":"Li3 Ni2 Sb1 O6\n1.0\n0.021221 0.000000 -5.231392\n-2.467245 -4.524627 0.895556\n-2.467245 4.524627 0.895556\nLi Ni Sb O\n3 2 1 6\ndirect\n0.500000 0.828656 0.171344 Li\n0.500000 0.171344 0.828656 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.666572 0.333428 Ni\n0.000000 0.333428 0.666572 Ni\n0.000000 0.000000 0.000000 Sb\n0.229010 0.759036 0.759036 O\n0.770990 0.240964 0.240964 O\n0.232787 0.078968 0.398696 O\n0.232787 0.398696 0.078968 O\n0.767213 0.921032 0.601304 O\n0.767213 0.601304 0.921032 O\n","nsites":12,"nelements":4,"elements":["Li","Ni","Sb","O"],"chemical_system":"Li-Ni-O-Sb","density":5.068220150310588,"density_atomic":0.10289134808322692,"volume":116.62788197014797,"volume_molar":5.852912681374144,"formula_full":"Li3 Ni2 Sb1 O6","formula_reduced":"Li3Ni2SbO6","formula_anonymous":"AB2C3D6","energy":-74.07624361,"energy_per_atom":-6.1730203008333335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.87224361,"band_gap":2.8046,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998952,"is_theoretical":false,"updated_at":"2021-11-28T01:35:56.857000Z","spacegroup":12}]}