{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10186","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_gap_direct&page=10184","results":[{"id":"mp-1264900","created_at":"2022-09-04T14:43:40.493304Z","structure_string":"Mg8 Mn8 Si12 O48\n1.0\n-5.817427 5.817427 5.872904\n5.817427 -5.817427 5.872904\n5.817427 5.817427 -5.872904\nMg Mn Si O\n8 8 12 48\ndirect\n0.744977 0.375000 0.869977 Mg\n0.625000 0.994977 0.869977 Mg\n0.125000 0.755023 0.130023 Mg\n0.505023 0.875000 0.130023 Mg\n0.005023 0.875000 0.630023 Mg\n0.125000 0.255023 0.630023 Mg\n0.625000 0.494977 0.369977 Mg\n0.244977 0.375000 0.369977 Mg\n0.875000 0.625000 0.250000 Mn\n0.375000 0.125000 0.750000 Mn\n0.875000 0.125000 0.250000 Mn\n0.375000 0.625000 0.750000 Mn\n0.375000 0.125000 0.250000 Mn\n0.875000 0.125000 0.750000 Mn\n0.875000 0.625000 0.750000 Mn\n0.375000 0.625000 0.250000 Mn\n0.249184 0.875000 0.874184 Si\n0.125000 0.999184 0.374184 Si\n0.500000 0.500000 0.000000 Si\n0.625000 0.750816 0.625816 Si\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.749184 0.875000 0.374184 Si\n0.250000 0.750000 0.500000 Si\n0.000816 0.375000 0.125816 Si\n0.625000 0.250816 0.125816 Si\n0.125000 0.499184 0.874184 Si\n0.500816 0.375000 0.625816 Si\n0.252922 0.015339 0.826563 O\n0.176359 0.502922 0.737583 O\n0.765339 0.438776 0.262417 O\n0.066989 0.723277 0.455454 O\n0.183011 0.138464 0.156288 O\n0.357489 0.421971 0.624597 O\n0.452626 0.328029 0.435518 O\n0.361536 0.316989 0.843712 O\n0.171971 0.047374 0.564482 O\n0.776723 0.433011 0.544546 O\n0.078029 0.142511 0.375403 O\n0.473277 0.517823 0.156288 O\n0.767108 0.702626 0.624597 O\n0.482892 0.607489 0.435518 O\n0.888464 0.232177 0.455454 O\n0.188776 0.426359 0.173437 O\n0.484661 0.247078 0.173437 O\n0.997078 0.323641 0.262417 O\n0.267823 0.611536 0.544546 O\n0.061224 0.734661 0.737583 O\n0.952626 0.517108 0.124597 O\n0.073641 0.311224 0.826563 O\n0.982177 0.026723 0.843712 O\n0.797374 0.732892 0.375403 O\n0.497078 0.234661 0.673437 O\n0.573641 0.747078 0.762417 O\n0.984661 0.811224 0.237583 O\n0.683011 0.526723 0.044546 O\n0.566989 0.111536 0.343712 O\n0.392511 0.828029 0.875403 O\n0.297374 0.921971 0.064482 O\n0.388464 0.933011 0.656288 O\n0.578029 0.202626 0.935518 O\n0.973277 0.816989 0.955454 O\n0.671971 0.107489 0.124597 O\n0.276723 0.732177 0.343712 O\n0.982892 0.547374 0.875403 O\n0.267108 0.642511 0.064482 O\n0.861536 0.017823 0.044546 O\n0.561224 0.823641 0.326563 O\n0.265339 0.002922 0.326563 O\n0.752922 0.926359 0.237583 O\n0.482177 0.638464 0.955454 O\n0.688776 0.515339 0.762417 O\n0.857489 0.232892 0.935518 O\n0.676359 0.938776 0.673437 O\n0.767823 0.223277 0.656288 O\n0.892511 0.017108 0.564482 O\n","nsites":76,"nelements":4,"elements":["Mg","Mn","Si","O"],"chemical_system":"Mg-Mn-O-Si","density":3.6321126265115673,"density_atomic":0.09559580058828704,"volume":795.0140019990791,"volume_molar":6.299587139749179,"formula_full":"Mg8 Mn8 Si12 O48","formula_reduced":"Mg2Mn2(SiO4)3","formula_anonymous":"A2B2C3D12","energy":-592.7151079600001,"energy_per_atom":-7.798882999473685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-546.39510796,"band_gap":1.3374,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0006552,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.851000Z","spacegroup":142},{"id":"mp-557339","created_at":"2022-09-04T14:43:40.557945Z","structure_string":"Yb2 Cu4 Mo6 O24\n1.0\n11.155410 0.000000 0.000000\n0.000000 5.121135 0.000000\n0.000000 0.560503 8.803534\nYb Cu Mo O\n2 4 6 24\ndirect\n0.750000 0.296346 0.049336 Yb\n0.250000 0.703654 0.950664 Yb\n0.578685 0.263498 0.444993 Cu\n0.921315 0.263498 0.444993 Cu\n0.078685 0.736502 0.555007 Cu\n0.421315 0.736502 0.555007 Cu\n0.026320 0.181428 0.801671 Mo\n0.750000 0.722754 0.612003 Mo\n0.250000 0.277246 0.387997 Mo\n0.526320 0.818572 0.198329 Mo\n0.973680 0.818572 0.198329 Mo\n0.473680 0.181428 0.801671 Mo\n0.750000 0.579702 0.796803 O\n0.612745 0.108141 0.249350 O\n0.250000 0.420298 0.203197 O\n0.882361 0.932524 0.578700 O\n0.486866 0.590500 0.363882 O\n0.117639 0.067476 0.421300 O\n0.379561 0.372779 0.907242 O\n0.896069 0.105329 0.910099 O\n0.387255 0.891859 0.750650 O\n0.513134 0.409500 0.636118 O\n0.879561 0.627221 0.092758 O\n0.250000 0.536311 0.523519 O\n0.620439 0.627221 0.092758 O\n0.103931 0.894671 0.089901 O\n0.382361 0.067476 0.421300 O\n0.986866 0.409500 0.636118 O\n0.120439 0.372779 0.907242 O\n0.112745 0.891859 0.750650 O\n0.013134 0.590500 0.363882 O\n0.603931 0.105329 0.910099 O\n0.750000 0.463689 0.476481 O\n0.617639 0.932524 0.578700 O\n0.396069 0.894671 0.089901 O\n0.887255 0.108141 0.249350 O\n","nsites":36,"nelements":4,"elements":["Yb","Cu","Mo","O"],"chemical_system":"Cu-Mo-O-Yb","density":5.150319281182499,"density_atomic":0.07158032956395717,"volume":502.93146482140634,"volume_molar":8.413122427187492,"formula_full":"Yb2 Cu4 Mo6 O24","formula_reduced":"YbCu2(MoO4)3","formula_anonymous":"AB2C3D12","energy":-273.4527822,"energy_per_atom":-7.595910616666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-237.7527822,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9979587,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.122000Z","spacegroup":11},{"id":"mp-770650","created_at":"2022-09-04T14:43:40.566245Z","structure_string":"Li2 V2 Si2 C2 O14\n1.0\n6.381732 0.000000 0.000000\n0.000000 5.332744 0.000000\n0.000000 0.897573 8.635387\nLi V Si C O\n2 2 2 2 14\ndirect\n0.468977 0.778921 0.810745 Li\n0.968977 0.221079 0.189255 Li\n0.247885 0.195359 0.660924 V\n0.747885 0.804641 0.339076 V\n0.751187 0.263155 0.564859 Si\n0.251187 0.736845 0.435141 Si\n0.252003 0.277344 0.934222 C\n0.752003 0.722656 0.065778 C\n0.717576 0.684877 0.929995 O\n0.253775 0.050409 0.880879 O\n0.280867 0.453997 0.817082 O\n0.963862 0.199520 0.666929 O\n0.549805 0.174827 0.668136 O\n0.261524 0.882544 0.593378 O\n0.754691 0.567152 0.503302 O\n0.254691 0.432848 0.496698 O\n0.761524 0.117456 0.406622 O\n0.049805 0.825173 0.331864 O\n0.463862 0.800480 0.333071 O\n0.780867 0.546003 0.182918 O\n0.753775 0.949591 0.119121 O\n0.217576 0.315123 0.070005 O\n","nsites":22,"nelements":5,"elements":["Li","V","Si","C","O"],"chemical_system":"C-Li-O-Si-V","density":2.372873277863504,"density_atomic":0.07486030245988128,"volume":293.8807255259237,"volume_molar":8.044504980763808,"formula_full":"Li2 V2 Si2 C2 O14","formula_reduced":"LiVSiCO7","formula_anonymous":"ABCDE7","energy":-173.03159209,"energy_per_atom":-7.865072367727273,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.01359209,"band_gap":1.8349,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022922,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.556000Z","spacegroup":4},{"id":"mp-561034","created_at":"2022-09-04T14:43:40.567760Z","structure_string":"Ag9 Ge2 I1 O8\n1.0\n3.505535 8.984141 0.000000\n-3.505535 8.984141 0.000000\n0.000000 1.570888 5.561394\nAg Ge I O\n9 2 1 8\ndirect\n0.821314 0.821314 0.716163 Ag\n0.719001 0.280999 0.500000 Ag\n0.178686 0.178686 0.283837 Ag\n0.401355 0.953507 0.708854 Ag\n0.953507 0.401355 0.708854 Ag\n0.500000 0.500000 0.000000 Ag\n0.046493 0.598645 0.291146 Ag\n0.598645 0.046493 0.291146 Ag\n0.280999 0.719001 0.500000 Ag\n0.340945 0.340945 0.784900 Ge\n0.659055 0.659055 0.215100 Ge\n0.000000 0.000000 0.000000 I\n0.762162 0.762162 0.125738 O\n0.237838 0.237838 0.874262 O\n0.580063 0.170400 0.602017 O\n0.829600 0.419937 0.397983 O\n0.626038 0.626038 0.951479 O\n0.170400 0.580063 0.602017 O\n0.373962 0.373962 0.048521 O\n0.419937 0.829600 0.397983 O\n","nsites":20,"nelements":4,"elements":["Ag","Ge","I","O"],"chemical_system":"Ag-Ge-I-O","density":6.498901538499684,"density_atomic":0.057093342485067665,"volume":350.30354029860575,"volume_molar":10.547886142022682,"formula_full":"Ag9 Ge2 I1 O8","formula_reduced":"Ag9Ge2IO8","formula_anonymous":"AB2C8D9","energy":-92.99604165,"energy_per_atom":-4.6498020825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-87.12104165,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.004171,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.966000Z","spacegroup":12},{"id":"mp-864890","created_at":"2022-09-04T14:43:40.596696Z","structure_string":"Hf2 Fe1 Ir1\n1.0\n0.000000 3.230663 3.230663\n3.230663 0.000000 3.230663\n3.230663 3.230663 0.000000\nHf Fe Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Ir\n","nsites":4,"nelements":3,"elements":["Hf","Fe","Ir"],"chemical_system":"Fe-Hf-Ir","density":14.898057675873071,"density_atomic":0.05931370080471159,"volume":67.43804459563007,"volume_molar":10.15303492835104,"formula_full":"Hf2 Fe1 Ir1","formula_reduced":"Hf2FeIr","formula_anonymous":"ABC2","energy":-39.90678285,"energy_per_atom":-9.9766957125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.90678285,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0191582,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.702000Z","spacegroup":225},{"id":"mp-51","created_at":"2022-09-04T14:43:40.601870Z","structure_string":"Li1\n1.0\n0.000000 2.159945 2.159945\n2.159945 0.000000 2.159945\n2.159945 2.159945 0.000000\nLi\n1\ndirect\n0.000000 0.000000 0.000000 Li\n","nsites":1,"nelements":1,"elements":["Li"],"chemical_system":"Li","density":0.5718907451312455,"density_atomic":0.04961830525445642,"volume":20.153852391203667,"volume_molar":12.136933595609106,"formula_full":"Li1","formula_reduced":"Li","formula_anonymous":"A","energy":-1.90603016,"energy_per_atom":-1.90603016,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1.90603016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014506,"is_theoretical":false,"updated_at":"2021-11-28T01:36:23.843000Z","spacegroup":225},{"id":"mp-1225592","created_at":"2022-09-04T14:43:40.602512Z","structure_string":"Dy1 Ga3 Cu1\n1.0\n-2.039038 2.039038 5.387979\n2.039038 -2.039038 5.387979\n2.039038 2.039038 -5.387979\nDy Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.613284 0.613284 0.000000 Ga\n0.386716 0.386716 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n","nsites":5,"nelements":3,"elements":["Dy","Ga","Cu"],"chemical_system":"Cu-Dy-Ga","density":8.065223893390773,"density_atomic":0.05579990759015566,"volume":89.605883162468,"volume_molar":10.792384826569926,"formula_full":"Dy1 Ga3 Cu1","formula_reduced":"DyGa3Cu","formula_anonymous":"ABC3","energy":-20.076794,"energy_per_atom":-4.0153588,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.076794,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006877,"is_theoretical":true,"updated_at":"2021-11-28T01:36:22.412000Z","spacegroup":119},{"id":"mp-10140","created_at":"2022-09-04T14:43:40.709771Z","structure_string":"Sc3 Tl1 B1\n1.0\n4.690238 0.000000 0.000000\n0.000000 4.690238 0.000000\n0.000000 0.000000 4.690238\nSc Tl B\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 B\n","nsites":5,"nelements":3,"elements":["Sc","Tl","B"],"chemical_system":"B-Sc-Tl","density":5.633904342745025,"density_atomic":0.048460217765674364,"volume":103.17741501239456,"volume_molar":12.426978329151545,"formula_full":"Sc3 Tl1 B1","formula_reduced":"Sc3TlB","formula_anonymous":"ABC3","energy":-29.82250083,"energy_per_atom":-5.964500166,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.82250083,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002718,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.823000Z","spacegroup":221},{"id":"mp-1028328","created_at":"2022-09-04T14:43:40.719060Z","structure_string":"Mg14 V1 Sn1\n1.0\n6.322630 0.048044 0.000000\n-3.119708 5.403492 0.000000\n0.000000 0.000000 10.344651\nMg V Sn\n14 1 1\ndirect\n0.166519 0.333259 0.625000 Mg\n0.166565 0.833282 0.625000 Mg\n0.667327 0.332946 0.125000 Mg\n0.666408 0.333283 0.625000 Mg\n0.667327 0.834381 0.125000 Mg\n0.666408 0.833123 0.625000 Mg\n0.332216 0.169348 0.373452 Mg\n0.332216 0.169348 0.876548 Mg\n0.332216 0.662869 0.373452 Mg\n0.332216 0.662869 0.876548 Mg\n0.837090 0.168545 0.373886 Mg\n0.837090 0.168545 0.876114 Mg\n0.832544 0.666273 0.376855 Mg\n0.832544 0.666273 0.873145 Mg\n0.165615 0.332807 0.125000 V\n0.165700 0.832850 0.125000 Sn\n","nsites":16,"nelements":3,"elements":["Mg","V","Sn"],"chemical_system":"Mg-Sn-V","density":2.3854106658232235,"density_atomic":0.04507447928344142,"volume":354.96804964484124,"volume_molar":13.360422251649387,"formula_full":"Mg14 V1 Sn1","formula_reduced":"Mg14VSn","formula_anonymous":"ABC14","energy":-34.80444782,"energy_per_atom":-2.17527798875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.80444782,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.5015775,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.890000Z","spacegroup":38},{"id":"mp-1221640","created_at":"2022-09-04T14:43:40.720362Z","structure_string":"Mn1 Al1 Cu1 Pd1\n1.0\n3.027104 0.000000 0.000000\n0.000000 3.027104 0.000000\n0.000000 0.000000 6.112965\nMn Al Cu Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.485219 Mn\n0.000000 0.000000 0.007269 Al\n0.500000 0.500000 0.245124 Cu\n0.500000 0.500000 0.762388 Pd\n","nsites":4,"nelements":4,"elements":["Mn","Al","Cu","Pd"],"chemical_system":"Al-Cu-Mn-Pd","density":7.466994237440995,"density_atomic":0.07140907347667398,"volume":56.01529056817427,"volume_molar":8.433299112846147,"formula_full":"Mn1 Al1 Cu1 Pd1","formula_reduced":"MnAlCuPd","formula_anonymous":"ABCD","energy":-23.38670756,"energy_per_atom":-5.84667689,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.38670756,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9539704,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.360000Z","spacegroup":99},{"id":"mp-1336972","created_at":"2022-09-04T14:43:40.548227Z","structure_string":"Y4 Mn6 O18\n1.0\n3.029023 -5.246421 0.000000\n3.029023 5.246421 0.000000\n0.000000 0.000000 11.988003\nY Mn O\n4 6 18\ndirect\n0.666667 0.333333 0.229481 Y\n0.333333 0.666667 0.729481 Y\n0.000000 0.000000 0.775744 Y\n0.000000 0.000000 0.275745 Y\n0.669541 0.005475 0.502701 Mn\n0.664066 0.669541 0.002701 Mn\n0.005475 0.335934 0.002701 Mn\n0.994525 0.664066 0.502701 Mn\n0.335934 0.330459 0.502701 Mn\n0.330459 0.994525 0.002701 Mn\n0.666667 0.333333 0.014700 O\n0.333333 0.666667 0.514700 O\n0.666667 0.333333 0.521654 O\n0.333333 0.666667 0.021654 O\n0.000000 0.000000 0.977229 O\n0.000000 0.000000 0.477229 O\n0.331975 0.959931 0.849348 O\n0.372044 0.331975 0.349348 O\n0.959931 0.627956 0.349348 O\n0.040069 0.372044 0.849348 O\n0.627956 0.668025 0.849348 O\n0.668025 0.040069 0.349348 O\n0.299618 0.020902 0.155667 O\n0.278715 0.299618 0.655667 O\n0.020902 0.721285 0.655667 O\n0.979098 0.278715 0.155667 O\n0.721285 0.700382 0.155667 O\n0.700382 0.979098 0.655667 O\n","nsites":28,"nelements":3,"elements":["Y","Mn","O"],"chemical_system":"Mn-O-Y","density":4.2415724387271405,"density_atomic":0.07348784025070786,"volume":381.0154156725309,"volume_molar":8.194744517535325,"formula_full":"Y4 Mn6 O18","formula_reduced":"Y2Mn3O9","formula_anonymous":"A2B3C9","energy":-235.96495137,"energy_per_atom":-8.427319691785714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-213.59095137,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.878000Z","spacegroup":173},{"id":"mp-14363","created_at":"2022-09-04T14:43:40.549675Z","structure_string":"Rb4 Li2 As2 O8\n1.0\n2.955483 -6.010421 0.000000\n2.955483 6.010421 0.000000\n0.000000 0.000000 8.008594\nRb Li As O\n4 2 2 8\ndirect\n0.939232 0.060768 0.849377 Rb\n0.060768 0.939232 0.349377 Rb\n0.396998 0.603002 0.496951 Rb\n0.603002 0.396998 0.996951 Rb\n0.204016 0.795984 0.769428 Li\n0.795984 0.204016 0.269428 Li\n0.310661 0.689339 0.055365 As\n0.689339 0.310661 0.555365 As\n0.118395 0.406927 0.160352 O\n0.881605 0.593073 0.660352 O\n0.365986 0.634014 0.855204 O\n0.634014 0.365986 0.355204 O\n0.593073 0.881605 0.160352 O\n0.406927 0.118395 0.660352 O\n0.832368 0.167632 0.523871 O\n0.167632 0.832368 0.023871 O\n","nsites":16,"nelements":4,"elements":["Rb","Li","As","O"],"chemical_system":"As-Li-O-Rb","density":3.6977613295552927,"density_atomic":0.05623417793079888,"volume":284.52447583904245,"volume_molar":10.709040269799582,"formula_full":"Rb4 Li2 As2 O8","formula_reduced":"Rb2LiAsO4","formula_anonymous":"ABC2D4","energy":-90.38632613,"energy_per_atom":-5.649145383125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.89032613,"band_gap":3.5526,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009292,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.143000Z","spacegroup":36}]}