{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3482","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-id&page=3480","results":[{"id":"jvasp-120138","created_at":"2022-09-04T14:38:52.338917Z","updated_at":"2022-09-04T14:38:52.338935Z","structure_string":"Si1 H1 F1\n1.0\n2.432657 0.033314 0.000000\n-0.213504 6.869172 0.000000\n0.000000 0.000000 2.517491\nSi H F\n1 1 1\ndirect\n-0.116956 0.399791 0.000000 Si\n0.314420 -0.081550 0.000000 H\n-0.076276 -0.111899 0.000000 F\n","nsites":3,"nelements":3,"elements":["Si","H","F"],"chemical_system":"F-H-Si","density":1.8975031599289023,"density_atomic":0.07128255249895836,"volume":42.08603500897135,"volume_molar":8.448267561810447,"formula_full":"Si1 H1 F1","formula_reduced":"SiHF","formula_anonymous":"ABC","energy_above_hull":1.4338229608333333,"spacegroup":6},{"id":"jvasp-120134","created_at":"2022-09-04T14:38:50.964982Z","updated_at":"2022-09-04T14:38:50.964997Z","structure_string":"Rb1 Cu3 S2\n1.0\n4.098201 -0.850562 -0.314536\n-2.996894 5.301109 -0.378317\n-0.305846 -0.547760 6.190653\nRb Cu S\n1 3 2\ndirect\n0.779631 -0.017808 -0.184089 Rb\n0.052516 0.405897 0.421012 Cu\n0.135557 0.018134 0.378221 Cu\n-0.116629 0.558548 0.051060 Cu\n0.676466 0.404103 0.647168 S\n0.472461 0.631124 0.186626 S\n","nsites":6,"nelements":3,"elements":["Rb","Cu","S"],"chemical_system":"Cu-Rb-S","density":4.839691533437679,"density_atomic":0.05139724331081082,"volume":116.73777840022734,"volume_molar":11.716855558930945,"formula_full":"Rb1 Cu3 S2","formula_reduced":"RbCu3S2","formula_anonymous":"AB2C3","energy_above_hull":0.2263035583333334,"spacegroup":1},{"id":"jvasp-12013","created_at":"2022-09-04T14:36:15.073798Z","updated_at":"2022-09-04T14:36:15.073828Z","structure_string":"Cr2 Ge2 Te6\n1.0\n6.219927 -0.021441 4.944780\n2.373582 5.749265 4.944781\n-0.032169 -0.021443 7.945899\nCr Ge Te\n2 2 6\ndirect\n0.334418 0.334419 0.334418 Cr\n0.665581 0.665583 0.665581 Cr\n0.058848 0.058848 0.058848 Ge\n0.941152 0.941154 0.941152 Ge\n0.919479 0.542220 0.287849 Te\n0.287849 0.919481 0.542219 Te\n0.542219 0.287850 0.919479 Te\n0.080520 0.457782 0.712151 Te\n0.712151 0.080521 0.457781 Te\n0.457781 0.712152 0.080520 Te\n","nsites":10,"nelements":3,"elements":["Cr","Ge","Te"],"chemical_system":"Cr-Ge-Te","density":5.894994601058953,"density_atomic":0.03498025394654152,"volume":285.8755689790724,"volume_molar":17.215829162370635,"formula_full":"Cr2 Ge2 Te6","formula_reduced":"CrGeTe3","formula_anonymous":"ABC3","energy_above_hull":1.7476113299999998,"spacegroup":148},{"id":"jvasp-120123","created_at":"2022-09-04T14:38:39.200378Z","updated_at":"2022-09-04T14:38:39.200400Z","structure_string":"Al2 As2\n1.0\n5.634689 -0.899683 -0.454218\n4.783712 -6.528634 0.148352\n2.546649 -0.712801 -3.064723\nAl As\n2 2\ndirect\n0.855465 0.031388 0.022200 Al\n-0.144454 0.531388 0.022126 Al\n0.105515 0.281369 0.522163 As\n0.105575 0.781377 0.522084 As\n","nsites":4,"nelements":2,"elements":["Al","As"],"chemical_system":"Al-As","density":3.6078140191836794,"density_atomic":0.04264199153319064,"volume":93.80424919616094,"volume_molar":14.12255981363495,"formula_full":"Al2 As2","formula_reduced":"AlAs","formula_anonymous":"AB","energy_above_hull":1.041667275,"spacegroup":216},{"id":"jvasp-120122","created_at":"2022-09-04T14:38:39.145242Z","updated_at":"2022-09-04T14:38:39.145264Z","structure_string":"Al1 As1 O4\n1.0\n3.025635 -3.190595 0.000000\n3.025635 3.190595 0.000000\n0.000000 0.000000 2.872278\nAl As O\n1 1 4\ndirect\n0.499999 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 As\n0.698325 0.698325 0.000000 O\n0.808051 0.191947 0.500000 O\n0.191947 0.808051 0.500000 O\n0.301673 0.301673 0.000000 O\n","nsites":6,"nelements":3,"elements":["Al","As","O"],"chemical_system":"Al-As-O","density":4.967669951426881,"density_atomic":0.10819484455406772,"volume":55.45550737402878,"volume_molar":5.56601452206032,"formula_full":"Al1 As1 O4","formula_reduced":"AlAsO4","formula_anonymous":"ABC4","energy_above_hull":2.1665247583333334,"spacegroup":65},{"id":"jvasp-120121","created_at":"2022-09-04T14:38:44.680462Z","updated_at":"2022-09-04T14:38:44.680490Z","structure_string":"Al1 As1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nAl As O\n1 1 1\ndirect\n-0.053513 -0.062937 0.000000 Al\n0.310115 0.004011 0.000000 As\n0.049727 0.262825 0.000000 O\n","nsites":3,"nelements":3,"elements":["Al","As","O"],"chemical_system":"Al-As-O","density":1.0194449520381192,"density_atomic":0.015621142021024966,"volume":192.04741855379137,"volume_molar":38.55121957085225,"formula_full":"Al1 As1 O1","formula_reduced":"AlAsO","formula_anonymous":"ABC","energy_above_hull":2.195402683333333,"spacegroup":6},{"id":"jvasp-120120","created_at":"2022-09-04T14:38:38.979221Z","updated_at":"2022-09-04T14:38:38.979249Z","structure_string":"Al1 As1 O4\n1.0\n-2.513905 2.513905 3.796462\n2.513905 -2.513905 3.796462\n2.513905 2.513905 -3.796462\nAl As O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.750001 0.500001 As\n0.617403 0.729891 0.597619 O\n0.132274 0.019785 0.402384 O\n0.270110 0.867729 0.887514 O\n0.980216 0.382597 0.112489 O\n","nsites":6,"nelements":3,"elements":["Al","As","O"],"chemical_system":"Al-As-O","density":2.870520448218478,"density_atomic":0.06251935348383267,"volume":95.97028225110459,"volume_molar":9.632442474884693,"formula_full":"Al1 As1 O4","formula_reduced":"AlAsO4","formula_anonymous":"ABC4","energy_above_hull":2.1781597583333334,"spacegroup":82},{"id":"jvasp-120119","created_at":"2022-09-04T14:38:52.784386Z","updated_at":"2022-09-04T14:38:52.784411Z","structure_string":"Al1 As1 O2\n1.0\n2.699608 0.000000 0.000000\n0.000000 2.699608 0.000000\n-0.000000 0.000000 6.685624\nAl As O\n1 1 2\ndirect\n0.500001 0.500001 0.582997 Al\n0.000000 0.000000 0.068961 As\n0.000000 0.000000 0.517162 O\n0.500001 0.500001 0.840878 O\n","nsites":4,"nelements":3,"elements":["Al","As","O"],"chemical_system":"Al-As-O","density":4.5634426922964195,"density_atomic":0.08209498544989548,"volume":48.72404785845653,"volume_molar":7.335576865015045,"formula_full":"Al1 As1 O2","formula_reduced":"AlAsO2","formula_anonymous":"ABC2","energy_above_hull":1.8213128875,"spacegroup":99},{"id":"jvasp-120117","created_at":"2022-09-04T14:38:52.082404Z","updated_at":"2022-09-04T14:38:52.082439Z","structure_string":"Al1 As1 O1\n1.0\n4.254414 -0.000000 0.000000\n-2.127207 3.684431 -0.000000\n-0.000000 0.000000 2.968234\nAl As O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.000000 As\n0.666666 0.333334 0.000000 O\n","nsites":3,"nelements":3,"elements":["Al","As","O"],"chemical_system":"Al-As-O","density":4.207885766643501,"density_atomic":0.06447820555447684,"volume":46.527349422981956,"volume_molar":9.339808247163404,"formula_full":"Al1 As1 O1","formula_reduced":"AlAsO","formula_anonymous":"ABC","energy_above_hull":1.8965760166666668,"spacegroup":187},{"id":"jvasp-120116","created_at":"2022-09-04T14:38:52.946085Z","updated_at":"2022-09-04T14:38:52.946120Z","structure_string":"Na2 Al2 As2\n1.0\n4.564088 0.000000 0.000000\n0.000000 4.564088 0.000000\n0.000000 0.000000 6.771046\nNa Al As\n2 2 2\ndirect\n0.000000 0.500000 0.641673 Na\n0.500000 0.000000 0.358328 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.199734 As\n0.500000 0.000000 0.800267 As\n","nsites":6,"nelements":3,"elements":["Na","Al","As"],"chemical_system":"Al-As-Na","density":2.940716019686682,"density_atomic":0.04253901869802503,"volume":141.0469771903451,"volume_molar":14.156745840212793,"formula_full":"Na2 Al2 As2","formula_reduced":"NaAlAs","formula_anonymous":"ABC","energy_above_hull":0.8748478500000001,"spacegroup":129},{"id":"jvasp-120113","created_at":"2022-09-04T14:38:53.051870Z","updated_at":"2022-09-04T14:38:53.051896Z","structure_string":"Co1 N1 O1\n1.0\n2.349909 -0.000000 0.000000\n-0.000000 2.349909 -0.000000\n0.000000 -0.000000 6.302251\nCo N O\n1 1 1\ndirect\n0.000000 0.000000 0.001444 Co\n0.000000 0.000000 0.263013 N\n0.000000 0.000000 0.727607 O\n","nsites":3,"nelements":3,"elements":["Co","N","O"],"chemical_system":"Co-N-O","density":4.243703129865304,"density_atomic":0.08620321625171336,"volume":34.801485726936235,"volume_molar":6.985981523491365,"formula_full":"Co1 N1 O1","formula_reduced":"CoNO","formula_anonymous":"ABC","energy_above_hull":3.59774255,"spacegroup":99},{"id":"jvasp-120109","created_at":"2022-09-04T14:38:38.899140Z","updated_at":"2022-09-04T14:38:38.899162Z","structure_string":"Zn1 Cl4 O1\n1.0\n-3.953864 3.953864 1.886100\n3.953864 -3.953864 1.886100\n3.953864 3.953864 -1.886100\nZn Cl O\n1 4 1\ndirect\n0.060189 0.060189 0.000000 Zn\n0.181221 0.755974 0.817090 Cl\n-0.061116 0.364129 0.182908 Cl\n0.364129 0.181221 0.425246 Cl\n0.755974 -0.061116 0.574752 Cl\n0.560195 0.560195 0.000000 O\n","nsites":6,"nelements":3,"elements":["Zn","Cl","O"],"chemical_system":"Cl-O-Zn","density":3.1427860680531006,"density_atomic":0.050872501134098594,"volume":117.94191097827401,"volume_molar":11.837713156909256,"formula_full":"Zn1 Cl4 O1","formula_reduced":"ZnCl4O","formula_anonymous":"ABC4","energy_above_hull":0.2315133616666668,"spacegroup":87}]}