{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=102","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=100","results":[{"id":"mp-553243","created_at":"2022-09-04T14:39:31.431991Z","structure_string":"Y1 Bi2 Br1 O4\n1.0\n3.919674 0.000000 0.000000\n0.000000 3.919674 0.000000\n0.000000 0.000000 9.341703\nY Bi Br O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.731339 Bi\n0.500000 0.500000 0.268661 Bi\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.851265 O\n0.000000 0.500000 0.148735 O\n0.500000 0.000000 0.148735 O\n0.000000 0.500000 0.851265 O\n","nsites":8,"nelements":4,"elements":["Y","Bi","Br","O"],"chemical_system":"Bi-Br-O-Y","density":7.529211582333204,"density_atomic":0.055739624022901675,"volume":143.52447007380331,"volume_molar":10.80405701611064,"formula_full":"Y1 Bi2 Br1 O4","formula_reduced":"YBi2BrO4","formula_anonymous":"ABC2D4","energy":-54.90416366,"energy_per_atom":-6.8630204575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.62216366,"band_gap":1.34,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001765,"is_theoretical":false,"updated_at":"2021-11-28T01:34:23.649000Z","spacegroup":123},{"id":"mp-756917","created_at":"2022-09-04T14:39:31.442214Z","structure_string":"Mn3 Cr2 Te3 O16\n1.0\n3.088939 5.316989 0.000000\n-3.088939 5.316989 0.000000\n0.000000 0.219749 8.957819\nMn Cr Te O\n3 2 3 16\ndirect\n0.175797 0.175797 0.786192 Mn\n0.341138 0.831923 0.290220 Mn\n0.831923 0.341138 0.290220 Mn\n0.324573 0.324573 0.508034 Cr\n0.663434 0.663434 0.022576 Cr\n0.176310 0.672490 0.793612 Te\n0.672490 0.176310 0.793612 Te\n0.838222 0.838222 0.297566 Te\n0.174554 0.664125 0.399510 O\n0.474180 0.474180 0.636455 O\n0.311729 0.311729 0.910090 O\n0.012925 0.012925 0.678850 O\n0.008140 0.008140 0.188047 O\n0.664125 0.174554 0.399510 O\n0.054387 0.457684 0.656103 O\n0.457684 0.054387 0.656103 O\n0.826981 0.826981 0.907451 O\n0.166780 0.166780 0.391013 O\n0.516039 0.943801 0.160120 O\n0.943801 0.516039 0.160120 O\n0.654387 0.654387 0.401063 O\n0.346580 0.839430 0.895405 O\n0.526221 0.526221 0.167072 O\n0.839430 0.346580 0.895405 O\n","nsites":24,"nelements":4,"elements":["Mn","Cr","Te","O"],"chemical_system":"Cr-Mn-O-Te","density":5.121941925133804,"density_atomic":0.08156500540525335,"volume":294.2438350951698,"volume_molar":7.38324080293892,"formula_full":"Mn3 Cr2 Te3 O16","formula_reduced":"Mn3Cr2Te3O16","formula_anonymous":"A2B3C3D16","energy":-173.71891358,"energy_per_atom":-7.238288065833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-153.72491358,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.4643108,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.836000Z","spacegroup":8},{"id":"mp-757185","created_at":"2022-09-04T14:39:31.472385Z","structure_string":"Li4 Mn4 P4 O16\n1.0\n4.187171 3.006578 -0.069668\n-4.187836 3.007530 0.071198\n-0.642058 0.004202 16.149176\nLi Mn P O\n4 4 4 16\ndirect\n0.282278 0.771443 0.748574 Li\n0.228501 0.717817 0.248557 Li\n0.771489 0.282137 0.751429 Li\n0.717711 0.228515 0.251436 Li\n0.920090 0.626793 0.584014 Mn\n0.079928 0.373308 0.415984 Mn\n0.626200 0.919451 0.915984 Mn\n0.373796 0.080481 0.084023 Mn\n0.257770 0.288840 0.631013 P\n0.288711 0.257598 0.868981 P\n0.711283 0.742343 0.131026 P\n0.742234 0.711227 0.368979 P\n0.110255 0.427497 0.688766 O\n0.572608 0.889781 0.188785 O\n0.427389 0.110164 0.811221 O\n0.889778 0.572599 0.311229 O\n0.973357 0.158521 0.855300 O\n0.841243 0.026520 0.355255 O\n0.158812 0.973551 0.644755 O\n0.026639 0.841426 0.144705 O\n0.403597 0.571184 0.853039 O\n0.428585 0.596190 0.353115 O\n0.571422 0.403895 0.646860 O\n0.596392 0.428757 0.146968 O\n0.173136 0.369208 0.541686 O\n0.630893 0.826843 0.041688 O\n0.369105 0.173101 0.958320 O\n0.826800 0.630810 0.458307 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":2.5633535937825385,"density_atomic":0.06889247864891719,"volume":406.4304340491324,"volume_molar":8.741361724970615,"formula_full":"Li4 Mn4 P4 O16","formula_reduced":"LiMnPO4","formula_anonymous":"ABCD4","energy":-217.29149631,"energy_per_atom":-7.7604105825000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-199.62749631,"band_gap":3.061,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.226000Z","spacegroup":15},{"id":"mp-1185666","created_at":"2022-09-04T14:39:31.481831Z","structure_string":"Na1 Cu3\n1.0\n3.825892 0.000000 0.000000\n0.000000 3.825892 0.000000\n0.000000 0.000000 3.825892\nNa Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n","nsites":4,"nelements":2,"elements":["Na","Cu"],"chemical_system":"Cu-Na","density":6.33444667019727,"density_atomic":0.07142691163492923,"volume":56.00130130845413,"volume_molar":8.431192980567074,"formula_full":"Na1 Cu3","formula_reduced":"NaCu3","formula_anonymous":"AB3","energy":-12.31587967,"energy_per_atom":-3.0789699175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.31587967,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001328,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.169000Z","spacegroup":221},{"id":"mp-1338483","created_at":"2022-09-04T14:39:31.487926Z","structure_string":"Y16 Cu24 O60\n1.0\n6.282499 0.000000 0.000000\n0.000000 11.561326 0.000000\n0.000000 0.000000 21.752568\nY Cu O\n16 24 60\ndirect\n0.751131 0.015772 0.456027 Y\n0.756844 0.008382 0.122161 Y\n0.251131 0.484228 0.543973 Y\n0.256844 0.491618 0.877839 Y\n0.743156 0.991618 0.622161 Y\n0.748869 0.984228 0.956027 Y\n0.243156 0.508382 0.377839 Y\n0.248869 0.515772 0.043973 Y\n0.245482 0.987410 0.711195 Y\n0.250233 0.990698 0.377399 Y\n0.750233 0.509302 0.622601 Y\n0.745482 0.512590 0.288805 Y\n0.254518 0.012590 0.211195 Y\n0.249767 0.009302 0.877399 Y\n0.749767 0.490698 0.122601 Y\n0.754518 0.487410 0.788805 Y\n0.068931 0.248275 0.468488 Cu\n0.062034 0.254667 0.138943 Cu\n0.061145 0.246864 0.805857 Cu\n0.568931 0.251725 0.531512 Cu\n0.561145 0.253136 0.194143 Cu\n0.562034 0.245333 0.861057 Cu\n0.437966 0.745333 0.638943 Cu\n0.438855 0.753136 0.305857 Cu\n0.431069 0.751725 0.968488 Cu\n0.938855 0.746864 0.694143 Cu\n0.937966 0.754667 0.361057 Cu\n0.931069 0.748275 0.031512 Cu\n0.624595 0.243041 0.715042 Cu\n0.598778 0.259301 0.388086 Cu\n0.602245 0.249636 0.048357 Cu\n0.098778 0.240699 0.611914 Cu\n0.124595 0.256959 0.284958 Cu\n0.102245 0.250364 0.951643 Cu\n0.897755 0.750364 0.548357 Cu\n0.875405 0.756959 0.215042 Cu\n0.901222 0.740699 0.888086 Cu\n0.397755 0.749636 0.451643 Cu\n0.401222 0.759301 0.111914 Cu\n0.375405 0.743041 0.784958 Cu\n0.760707 0.238636 0.458746 O\n0.758284 0.254714 0.123280 O\n0.760996 0.258966 0.790744 O\n0.260707 0.261364 0.541254 O\n0.260996 0.241034 0.209256 O\n0.258284 0.245286 0.876720 O\n0.741716 0.745286 0.623280 O\n0.739004 0.741034 0.290744 O\n0.739293 0.761364 0.958746 O\n0.239004 0.758966 0.709256 O\n0.241716 0.754714 0.376720 O\n0.239293 0.738636 0.041254 O\n0.082747 0.095173 0.451132 O\n0.072991 0.098834 0.133031 O\n0.128559 0.098394 0.790086 O\n0.582747 0.404827 0.548868 O\n0.628559 0.401606 0.209914 O\n0.572991 0.401166 0.866969 O\n0.427009 0.901166 0.633031 O\n0.371441 0.901606 0.290086 O\n0.417253 0.904827 0.951132 O\n0.871441 0.598394 0.709914 O\n0.927009 0.598834 0.366969 O\n0.917253 0.595173 0.048868 O\n0.923816 0.902564 0.698724 O\n0.920723 0.905254 0.382731 O\n0.875958 0.899859 0.043986 O\n0.420723 0.594746 0.617269 O\n0.423816 0.597436 0.301276 O\n0.375958 0.600141 0.956014 O\n0.624042 0.100141 0.543986 O\n0.576184 0.097436 0.198724 O\n0.579277 0.094746 0.882731 O\n0.124042 0.399859 0.456014 O\n0.079277 0.405254 0.117269 O\n0.076184 0.402564 0.801276 O\n0.539579 0.105962 0.688653 O\n0.542363 0.107623 0.383712 O\n0.627445 0.099368 0.034254 O\n0.042363 0.392377 0.616288 O\n0.039579 0.394038 0.311347 O\n0.127445 0.400632 0.965746 O\n0.872555 0.900632 0.534254 O\n0.960421 0.894038 0.188653 O\n0.957637 0.892377 0.883712 O\n0.372555 0.599368 0.465746 O\n0.457637 0.607623 0.116288 O\n0.460421 0.605962 0.811347 O\n0.461334 0.898936 0.449487 O\n0.457541 0.894538 0.145656 O\n0.374895 0.896324 0.798504 O\n0.961334 0.601064 0.550513 O\n0.874895 0.603676 0.201496 O\n0.957541 0.605462 0.854344 O\n0.042459 0.105462 0.645656 O\n0.125105 0.103676 0.298504 O\n0.038666 0.101064 0.949487 O\n0.625105 0.396324 0.701496 O\n0.542459 0.394538 0.354344 O\n0.538666 0.398936 0.050513 O\n","nsites":100,"nelements":3,"elements":["Y","Cu","O"],"chemical_system":"Cu-O-Y","density":4.106807250601257,"density_atomic":0.06329208308797009,"volume":1579.9764381432879,"volume_molar":9.514840507982312,"formula_full":"Y16 Cu24 O60","formula_reduced":"Y4(Cu2O5)3","formula_anonymous":"A4B6C15","energy":-688.96521418,"energy_per_atom":-6.8896521418,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-647.74521418,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4654351,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.328000Z","spacegroup":19},{"id":"mp-1079880","created_at":"2022-09-04T14:39:31.489758Z","structure_string":"Er3 Pd3 Pb3\n1.0\n3.925239 -6.798713 0.000000\n3.925239 6.798713 0.000000\n0.000000 0.000000 3.839412\nEr Pd Pb\n3 3 3\ndirect\n0.399689 0.399689 0.500000 Er\n0.600311 0.000000 0.500000 Er\n0.000000 0.600311 0.500000 Er\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.733166 0.733166 0.000000 Pb\n0.266834 0.000000 0.000000 Pb\n0.000000 0.266834 0.000000 Pb\n","nsites":9,"nelements":3,"elements":["Er","Pd","Pb"],"chemical_system":"Er-Pb-Pd","density":11.690111053907815,"density_atomic":0.04391925679286892,"volume":204.92150043534687,"volume_molar":13.71184578191178,"formula_full":"Er3 Pd3 Pb3","formula_reduced":"ErPdPb","formula_anonymous":"ABC","energy":-46.80309301,"energy_per_atom":-5.200343667777777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.80309301,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0018923,"is_theoretical":false,"updated_at":"2021-11-28T01:34:36.418000Z","spacegroup":189},{"id":"mp-985540","created_at":"2022-09-04T14:39:31.539657Z","structure_string":"Ac6 La2\n1.0\n3.958102 -6.855633 0.000000\n3.958102 6.855633 0.000000\n0.000000 0.000000 6.392177\nAc La\n6 2\ndirect\n0.832043 0.167957 0.750000 Ac\n0.335915 0.167957 0.750000 Ac\n0.832043 0.664085 0.750000 Ac\n0.167957 0.832043 0.250000 Ac\n0.664085 0.832043 0.250000 Ac\n0.167957 0.335915 0.250000 Ac\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n","nsites":8,"nelements":2,"elements":["Ac","La"],"chemical_system":"Ac-La","density":7.849275034225276,"density_atomic":0.02306092146763882,"volume":346.9072131929475,"volume_molar":26.11405085634074,"formula_full":"Ac6 La2","formula_reduced":"Ac3La","formula_anonymous":"AB3","energy":-34.29546389,"energy_per_atom":-4.28693298625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.29546389,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.5002934,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.108000Z","spacegroup":194},{"id":"mp-4426","created_at":"2022-09-04T14:39:31.581698Z","structure_string":"Li8 Se2 O10\n1.0\n2.917388 4.419631 0.000000\n-2.917388 4.419631 0.000000\n0.000000 1.119727 7.873814\nLi Se O\n8 2 10\ndirect\n0.637920 0.965077 0.646145 Li\n0.034923 0.362080 0.853855 Li\n0.432084 0.776975 0.056651 Li\n0.223025 0.567916 0.443349 Li\n0.567916 0.223025 0.943349 Li\n0.776975 0.432084 0.556651 Li\n0.362080 0.034923 0.353855 Li\n0.965077 0.637920 0.146145 Li\n0.172043 0.827957 0.750000 Se\n0.827957 0.172043 0.250000 Se\n0.994503 0.650271 0.660113 O\n0.349729 0.005497 0.839887 O\n0.128386 0.871614 0.250000 O\n0.871614 0.128386 0.750000 O\n0.589155 0.233012 0.426521 O\n0.766988 0.410845 0.073479 O\n0.410845 0.766988 0.573479 O\n0.233012 0.589155 0.926521 O\n0.650271 0.994503 0.160113 O\n0.005497 0.349729 0.339887 O\n","nsites":20,"nelements":3,"elements":["Li","Se","O"],"chemical_system":"Li-O-Se","density":3.0540553752054875,"density_atomic":0.09849964045114329,"volume":203.04642644782223,"volume_molar":6.113870804418862,"formula_full":"Li8 Se2 O10","formula_reduced":"Li4SeO5","formula_anonymous":"AB4C5","energy":-110.76148699,"energy_per_atom":-5.5380743494999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-103.89148699,"band_gap":2.4442,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009087,"is_theoretical":false,"updated_at":"2021-11-28T01:34:34.280000Z","spacegroup":15},{"id":"mp-1233561","created_at":"2022-09-04T14:39:31.433231Z","structure_string":"Mg1 Co4 P8 O28\n1.0\n6.459432 -0.022233 -2.244580\n-0.029396 8.077429 -0.006513\n0.042829 -0.007777 9.438136\nMg Co P O\n1 4 8 28\ndirect\n0.826932 0.382438 0.960264 Mg\n0.716500 0.774184 0.006454 Co\n0.715240 0.729060 0.499787 Co\n0.271497 0.270897 0.495450 Co\n0.283448 0.226694 0.997401 Co\n0.546231 0.091346 0.794803 P\n0.467952 0.918772 0.202251 P\n0.526399 0.408910 0.295765 P\n0.945935 0.963047 0.795947 P\n0.060191 0.465724 0.708753 P\n0.059186 0.041841 0.203016 P\n0.468731 0.582493 0.703293 P\n0.928472 0.526432 0.295503 P\n0.511668 0.581119 0.357555 O\n0.880015 0.565534 0.126351 O\n0.858718 0.944414 0.159208 O\n0.909323 0.675680 0.387888 O\n0.069820 0.400901 0.866696 O\n0.153298 0.059013 0.855275 O\n0.087008 0.324118 0.609689 O\n0.245223 0.599330 0.726359 O\n0.110626 0.100053 0.365158 O\n0.138604 0.442920 0.351432 O\n0.051802 0.187406 0.092449 O\n0.541520 0.238309 0.898882 O\n0.391753 0.095174 0.636148 O\n0.525860 0.920903 0.857505 O\n0.228611 0.906563 0.192825 O\n0.477028 0.412945 0.633749 O\n0.626388 0.580211 0.865029 O\n0.912341 0.895207 0.640483 O\n0.477917 0.265790 0.384396 O\n0.393835 0.404903 0.126843 O\n0.762582 0.382841 0.300360 O\n0.779011 0.110435 0.786674 O\n0.489053 0.089180 0.137463 O\n0.600082 0.908466 0.367425 O\n0.508802 0.775922 0.106315 O\n0.922474 0.832450 0.907575 O\n0.857947 0.557583 0.647018 O\n0.505309 0.727461 0.611707 O\n","nsites":41,"nelements":4,"elements":["Mg","Co","P","O"],"chemical_system":"Co-Mg-O-P","density":3.2180243806526247,"density_atomic":0.08312889938095469,"volume":493.2099463041049,"volume_molar":7.244340782622833,"formula_full":"Mg1 Co4 P8 O28","formula_reduced":"MgCo4(P2O7)4","formula_anonymous":"AB4C8D28","energy":-302.55425984,"energy_per_atom":-7.379372191219512,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-276.76625984,"band_gap":0.0503,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":13.9999998,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.408000Z","spacegroup":1},{"id":"mp-1019100","created_at":"2022-09-04T14:39:31.541180Z","structure_string":"Sm2 Fe2 Si2\n1.0\n4.037087 0.000000 0.000000\n0.000000 4.037087 0.000000\n0.000000 0.000000 6.776580\nSm Fe Si\n2 2 2\ndirect\n0.000000 0.500000 0.316129 Sm\n0.500000 0.000000 0.683871 Sm\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.830719 Si\n0.500000 0.000000 0.169281 Si\n","nsites":6,"nelements":3,"elements":["Sm","Fe","Si"],"chemical_system":"Fe-Si-Sm","density":7.045097134749239,"density_atomic":0.054325591470410856,"volume":110.44518499661396,"volume_molar":11.085274171897492,"formula_full":"Sm2 Fe2 Si2","formula_reduced":"SmFeSi","formula_anonymous":"ABC","energy":-40.66586088,"energy_per_atom":-6.777643479999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.80786088,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0063051,"is_theoretical":false,"updated_at":"2021-11-28T01:34:37.327000Z","spacegroup":129},{"id":"mp-1214078","created_at":"2022-09-04T14:39:31.573849Z","structure_string":"Ca4 Bi2 Br4 O3\n1.0\n4.064804 0.000000 0.000000\n0.000000 4.064804 0.000000\n0.000000 0.000000 32.914946\nCa Bi Br O\n4 2 4 3\ndirect\n0.500000 0.500000 0.241671 Ca\n0.500000 0.500000 0.758329 Ca\n0.500000 0.500000 0.635561 Ca\n0.500000 0.500000 0.364439 Ca\n0.500000 0.500000 0.063804 Bi\n0.500000 0.500000 0.936196 Bi\n0.500000 0.500000 0.443002 Br\n0.500000 0.500000 0.556998 Br\n0.500000 0.500000 0.841122 Br\n0.500000 0.500000 0.158878 Br\n0.500000 0.500000 0.302289 O\n0.500000 0.500000 0.697711 O\n0.500000 0.500000 0.000000 O\n","nsites":13,"nelements":4,"elements":["Ca","Bi","Br","O"],"chemical_system":"Bi-Br-Ca-O","density":2.8881250187324827,"density_atomic":0.023904022385003443,"volume":543.8415255231585,"volume_molar":25.193001675643025,"formula_full":"Ca4 Bi2 Br4 O3","formula_reduced":"Ca4Bi2Br4O3","formula_anonymous":"A2B3C4D4","energy":-53.422903610000006,"energy_per_atom":-4.109454123846154,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.22590361,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.037953,"is_theoretical":true,"updated_at":"2021-11-28T01:34:27.028000Z","spacegroup":123},{"id":"mp-31381","created_at":"2022-09-04T14:39:31.581405Z","structure_string":"Nb21 S8\n1.0\n-8.468338 8.468338 1.689690\n8.468338 -8.468338 1.689690\n8.468338 8.468338 -1.689690\nNb S\n21 8\ndirect\n0.278073 0.019886 0.297959 Nb\n0.615949 0.814592 0.430542 Nb\n0.185408 0.615949 0.801357 Nb\n0.814592 0.384051 0.198643 Nb\n0.384051 0.185408 0.569458 Nb\n0.808160 0.802255 0.610415 Nb\n0.197745 0.808160 0.005905 Nb\n0.802255 0.191840 0.994095 Nb\n0.191840 0.197745 0.389585 Nb\n0.548696 0.635058 0.183754 Nb\n0.364942 0.548696 0.913637 Nb\n0.635058 0.451304 0.086363 Nb\n0.451304 0.364942 0.816246 Nb\n0.980114 0.278073 0.258187 Nb\n0.019886 0.721927 0.741813 Nb\n0.721927 0.980114 0.702041 Nb\n0.081153 0.450233 0.531386 Nb\n0.549767 0.081153 0.630920 Nb\n0.450233 0.918847 0.369080 Nb\n0.918847 0.549767 0.468614 Nb\n0.000000 0.000000 0.000000 Nb\n0.212900 0.364384 0.577284 S\n0.635616 0.212900 0.848516 S\n0.364384 0.787100 0.151484 S\n0.787100 0.635616 0.422716 S\n0.137420 0.063925 0.201345 S\n0.936075 0.137420 0.073495 S\n0.063925 0.862580 0.926505 S\n0.862580 0.936075 0.798655 S\n","nsites":29,"nelements":2,"elements":["Nb","S"],"chemical_system":"Nb-S","density":7.563051131328824,"density_atomic":0.05983214945469615,"volume":484.68925593185133,"volume_molar":10.065058358900943,"formula_full":"Nb21 S8","formula_reduced":"Nb21S8","formula_anonymous":"A8B21","energy":-264.94344578,"energy_per_atom":-9.135980888965516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-260.91944578,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016975,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.515000Z","spacegroup":87}]}