{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=486","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=484","results":[{"id":"jvasp-14057","created_at":"2022-09-04T14:35:56.725515Z","updated_at":"2022-09-04T14:35:56.725535Z","structure_string":"Yb3 Si5\n1.0\n3.449933 -5.975460 -0.000000\n3.449933 5.975460 0.000000\n-0.000000 -0.000000 4.235485\nYb Si\n3 5\ndirect\n-0.000000 0.337171 0.000000 Yb\n0.337171 -0.000000 0.000000 Yb\n0.662829 0.662829 0.000000 Yb\n0.666667 0.333333 0.499999 Si\n0.333333 0.666667 0.499999 Si\n-0.000000 0.687563 0.499999 Si\n0.312437 0.312437 0.499999 Si\n0.687563 -0.000000 0.499999 Si\n","nsites":8,"nelements":2,"elements":["Yb","Si"],"chemical_system":"Si-Yb","density":6.271624208879776,"density_atomic":0.04581153447507532,"volume":174.62850986474945,"volume_molar":13.14546833893212,"formula_full":"Yb3 Si5","formula_reduced":"Yb3Si5","formula_anonymous":"A3B5","energy_above_hull":1.8831468875,"spacegroup":189},{"id":"jvasp-67770","created_at":"2022-09-04T14:35:56.729771Z","updated_at":"2022-09-04T14:35:56.729789Z","structure_string":"Be1 Si1 W2\n1.0\n3.186580 -0.000000 0.000000\n-0.000000 3.186580 -0.000000\n0.000000 -0.000000 5.430721\nBe Si W\n1 1 2\ndirect\n0.000000 0.000000 0.501562 Be\n0.500000 0.500000 0.732026 Si\n0.000000 0.000000 0.002769 W\n0.500000 0.500000 0.263642 W\n","nsites":4,"nelements":3,"elements":["Be","Si","W"],"chemical_system":"Be-Si-W","density":12.188731567346563,"density_atomic":0.07253587386251467,"volume":55.14512732805351,"volume_molar":8.302292974941524,"formula_full":"Be1 Si1 W2","formula_reduced":"BeSiW2","formula_anonymous":"ABC2","energy_above_hull":5.195586175,"spacegroup":99},{"id":"jvasp-91612","created_at":"2022-09-04T14:35:56.730007Z","updated_at":"2022-09-04T14:35:56.730035Z","structure_string":"Cu4 O4\n1.0\n0.914579 3.032318 -1.001932\n0.089251 0.295915 6.484047\n6.465847 -0.296086 -0.500966\nCu O\n4 4\ndirect\n0.915390 0.830778 0.500000 Cu\n0.584611 0.169223 0.500000 Cu\n0.915390 0.500001 0.169222 Cu\n0.584611 0.500000 0.830778 Cu\n0.750012 0.771224 0.771205 O\n0.021214 0.771224 0.228795 O\n0.478783 0.228776 0.771206 O\n0.749994 0.228776 0.228795 O\n","nsites":8,"nelements":2,"elements":["Cu","O"],"chemical_system":"Cu-O","density":4.038505065845672,"density_atomic":0.06114859181021235,"volume":130.82885088882668,"volume_molar":9.848371944019567,"formula_full":"Cu4 O4","formula_reduced":"CuO","formula_anonymous":"AB","energy_above_hull":0.70088965625,"spacegroup":139},{"id":"jvasp-96563","created_at":"2022-09-04T14:35:56.733253Z","updated_at":"2022-09-04T14:35:56.733270Z","structure_string":"Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n","nsites":56,"nelements":4,"elements":["Li","Mg","Mn","O"],"chemical_system":"Li-Mg-Mn-O","density":3.9705397695116953,"density_atomic":0.10113589067630249,"volume":553.7104545727955,"volume_molar":5.954504103073143,"formula_full":"Li8 Mg4 Mn12 O32","formula_reduced":"Li2MgMn3O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.714900626724138,"spacegroup":212},{"id":"jvasp-86959","created_at":"2022-09-04T14:35:56.737181Z","updated_at":"2022-09-04T14:35:56.737206Z","structure_string":"Zr2 Tl2 Cu2 Se6\n1.0\n3.876732 0.000000 0.000000\n-1.938366 7.297894 0.000000\n0.000000 -0.000000 10.202380\nZr Tl Cu Se\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250284 0.500567 0.250000 Tl\n0.749715 0.499432 0.750000 Tl\n0.462612 0.925224 0.750000 Cu\n0.537387 0.074775 0.250000 Cu\n0.627465 0.254931 0.049293 Se\n0.372534 0.745068 0.950707 Se\n0.372534 0.745068 0.549293 Se\n0.627465 0.254931 0.450707 Se\n0.067073 0.134146 0.750000 Se\n0.932925 0.865853 0.250000 Se\n","nsites":12,"nelements":4,"elements":["Zr","Tl","Cu","Se"],"chemical_system":"Cu-Se-Tl-Zr","density":6.857799630003637,"density_atomic":0.041573483921146424,"volume":288.64552277506334,"volume_molar":14.485533065793478,"formula_full":"Zr2 Tl2 Cu2 Se6","formula_reduced":"ZrTlCuSe3","formula_anonymous":"ABCD3","energy_above_hull":1.2207112750000002,"spacegroup":63},{"id":"jvasp-91750","created_at":"2022-09-04T14:35:56.737657Z","updated_at":"2022-09-04T14:35:56.737677Z","structure_string":"Rb2 Fe2 S4\n1.0\n0.000000 -0.000000 5.139432\n6.739853 0.000000 0.000000\n-3.369927 5.627916 -2.569715\nRb Fe S\n2 2 4\ndirect\n0.331019 0.331019 0.662039 Rb\n0.668981 0.668981 0.337961 Rb\n0.750356 0.000000 0.000000 Fe\n0.249643 0.000000 0.000000 Fe\n0.652980 0.152981 0.305962 S\n0.347019 0.847019 0.694039 S\n-0.000000 0.253802 -0.000000 S\n-0.000000 0.746198 -0.000000 S\n","nsites":8,"nelements":3,"elements":["Rb","Fe","S"],"chemical_system":"Fe-Rb-S","density":3.499909891683768,"density_atomic":0.04103711597061518,"volume":194.9454734033561,"volume_molar":14.674863516998084,"formula_full":"Rb2 Fe2 S4","formula_reduced":"RbFeS2","formula_anonymous":"ABC2","energy_above_hull":1.349936375,"spacegroup":71},{"id":"jvasp-97784","created_at":"2022-09-04T14:35:56.740934Z","updated_at":"2022-09-04T14:35:56.740957Z","structure_string":"Ba8 Ir6 O20\n1.0\n5.798186 0.007907 0.000000\n-2.823537 6.788276 0.000000\n0.000000 0.000000 13.281229\nBa Ir O\n8 6 20\ndirect\n0.263720 0.518350 0.387259 Ba\n0.965079 0.917038 0.362693 Ba\n0.534923 0.082963 0.862693 Ba\n0.034922 0.082963 0.637307 Ba\n0.465078 0.917038 0.137307 Ba\n0.736280 0.481651 0.612741 Ba\n0.763721 0.518350 0.112741 Ba\n0.236280 0.481651 0.887259 Ba\n0.631646 0.243565 0.349591 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.131645 0.243565 0.150409 Ir\n0.368355 0.756436 0.650409 Ir\n0.868355 0.756436 0.849591 Ir\n0.838930 0.227503 0.475391 O\n0.661071 0.772498 0.975391 O\n0.526472 0.073694 0.651290 O\n0.067551 0.766840 0.725690 O\n0.026471 0.073693 0.848710 O\n0.338930 0.227503 0.024609 O\n0.161071 0.772498 0.524609 O\n0.135347 0.787425 0.959954 O\n0.364653 0.212576 0.459954 O\n0.864653 0.212576 0.040046 O\n0.635348 0.787425 0.540046 O\n0.728107 0.465572 0.846053 O\n0.771894 0.534429 0.346053 O\n0.271893 0.534429 0.153948 O\n0.228107 0.465572 0.653948 O\n0.567551 0.766840 0.774310 O\n0.932450 0.233162 0.274310 O\n0.432449 0.233161 0.225690 O\n0.473529 0.926307 0.348710 O\n0.973529 0.926308 0.151290 O\n","nsites":34,"nelements":3,"elements":["Ba","Ir","O"],"chemical_system":"Ba-Ir-O","density":8.165222385281163,"density_atomic":0.06500439872091765,"volume":523.0415274814195,"volume_molar":9.264205005348579,"formula_full":"Ba8 Ir6 O20","formula_reduced":"Ba4Ir3O10","formula_anonymous":"A3B4C10","energy_above_hull":2.6108871870588235,"spacegroup":14},{"id":"jvasp-1192","created_at":"2022-09-04T14:35:56.740946Z","updated_at":"2022-09-04T14:35:56.740975Z","structure_string":"Cd1 Se1\n1.0\n3.777046 -0.000000 2.180679\n1.259016 3.561033 2.180679\n0.000000 0.000000 4.361357\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250001 0.250000 0.250000 Se\n","nsites":2,"nelements":2,"elements":["Cd","Se"],"chemical_system":"Cd-Se","density":5.417205540397751,"density_atomic":0.03409416714277606,"volume":58.66106045719212,"volume_molar":17.663258160204045,"formula_full":"Cd1 Se1","formula_reduced":"CdSe","formula_anonymous":"AB","energy_above_hull":0.2679211222222222,"spacegroup":216},{"id":"jvasp-68911","created_at":"2022-09-04T14:35:56.744610Z","updated_at":"2022-09-04T14:35:56.744628Z","structure_string":"Y2 Be1 Cl1\n1.0\n-1.981483 1.981483 5.829654\n1.981483 -1.981483 5.829654\n1.981483 1.981483 -5.829654\nY Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.749999 0.499999 Y\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Cl\n","nsites":4,"nelements":3,"elements":["Y","Be","Cl"],"chemical_system":"Be-Cl-Y","density":4.03143740886117,"density_atomic":0.04368944414054099,"volume":91.55529622058656,"volume_molar":13.783972029096706,"formula_full":"Y2 Be1 Cl1","formula_reduced":"Y2BeCl","formula_anonymous":"ABC2","energy_above_hull":1.870792766875,"spacegroup":119},{"id":"jvasp-74280","created_at":"2022-09-04T14:35:56.752952Z","updated_at":"2022-09-04T14:35:56.752968Z","structure_string":"Be1 Fe4 Pb1\n1.0\n0.000000 3.441851 3.441851\n3.441851 0.000000 3.441851\n3.441851 3.441851 0.000000\nBe Fe Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.373417 0.373417 0.373417 Fe\n0.373417 0.879747 0.373417 Fe\n0.373417 0.373417 0.879747 Fe\n0.879747 0.373417 0.373417 Fe\n0.750000 0.750000 0.750000 Pb\n","nsites":6,"nelements":3,"elements":["Be","Fe","Pb"],"chemical_system":"Be-Fe-Pb","density":8.9514391821071,"density_atomic":0.0735775052221342,"volume":81.54666269107246,"volume_molar":8.184758020564646,"formula_full":"Be1 Fe4 Pb1","formula_reduced":"BeFe4Pb","formula_anonymous":"ABC4","energy_above_hull":2.997483153333333,"spacegroup":216},{"id":"jvasp-94357","created_at":"2022-09-04T14:35:56.757601Z","updated_at":"2022-09-04T14:35:56.757627Z","structure_string":"Mg2 Sn4\n1.0\n3.385193 -0.000000 0.000000\n-1.692596 2.931663 -0.000000\n-0.000000 -0.000000 15.773928\nMg Sn\n2 4\ndirect\n0.333332 0.666666 0.750000 Mg\n0.666666 0.333333 0.250000 Mg\n0.666666 0.333333 0.907229 Sn\n0.666666 0.333333 0.592772 Sn\n0.333332 0.666666 0.407228 Sn\n0.333332 0.666666 0.092772 Sn\n","nsites":6,"nelements":2,"elements":["Mg","Sn"],"chemical_system":"Mg-Sn","density":5.55247954605766,"density_atomic":0.03832780216441173,"volume":156.54432712479252,"volume_molar":15.712199552083112,"formula_full":"Mg2 Sn4","formula_reduced":"MgSn2","formula_anonymous":"AB2","energy_above_hull":0.303062480952381,"spacegroup":194},{"id":"jvasp-88859","created_at":"2022-09-04T14:35:56.757765Z","updated_at":"2022-09-04T14:35:56.757786Z","structure_string":"Si5 P6 O25\n1.0\n7.159151 -0.002785 5.953484\n2.790560 6.592891 5.953484\n-0.004204 -0.002785 9.311142\nSi P O\n5 6 25\ndirect\n0.179672 0.179671 0.179672 Si\n0.000000 0.000000 0.000000 Si\n0.820329 0.820327 0.820328 Si\n0.433826 0.433824 0.433825 Si\n0.566176 0.566174 0.566175 Si\n0.927805 0.174163 0.621354 P\n0.825836 0.378644 0.072195 P\n0.072196 0.825835 0.378645 P\n0.621355 0.927804 0.174164 P\n0.378646 0.072195 0.825835 P\n0.174165 0.621354 0.927804 P\n0.250972 0.973750 0.897212 O\n0.432255 0.206146 0.590702 O\n0.026250 0.102787 0.749029 O\n0.102788 0.749029 0.026249 O\n0.749029 0.026249 0.102788 O\n0.973751 0.897211 0.250971 O\n0.897213 0.250970 0.973750 O\n0.096452 0.139730 0.428170 O\n0.733092 0.779314 0.076708 O\n0.139731 0.428170 0.096452 O\n0.428171 0.096451 0.139730 O\n0.903549 0.860268 0.571829 O\n0.860271 0.571828 0.903548 O\n0.571831 0.903547 0.860269 O\n0.793854 0.409297 0.567746 O\n0.076709 0.733091 0.779315 O\n0.409298 0.567745 0.793853 O\n0.206147 0.590702 0.432254 O\n0.590703 0.432253 0.206146 O\n0.500001 0.499999 0.500000 O\n0.266909 0.220684 0.923292 O\n0.923292 0.266907 0.220685 O\n0.220685 0.923291 0.266907 O\n0.567747 0.793853 0.409297 O\n0.779316 0.076707 0.733092 O\n","nsites":36,"nelements":3,"elements":["Si","P","O"],"chemical_system":"O-P-Si","density":2.7421537181416236,"density_atomic":0.08185703721307262,"volume":439.79114350660586,"volume_molar":7.35690047555039,"formula_full":"Si5 P6 O25","formula_reduced":"Si5P6O25","formula_anonymous":"A5B6C25","energy_above_hull":3.3018248194444446,"spacegroup":148}]}