{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=516","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=514","results":[{"id":"jvasp-101002","created_at":"2022-09-04T14:36:51.407747Z","updated_at":"2022-09-04T14:36:51.407764Z","structure_string":"Mn6 Sb2\n1.0\n5.433837 0.000000 0.000000\n-2.716918 4.705841 0.000000\n0.000000 0.000000 4.294794\nMn Sb\n6 2\ndirect\n0.150632 0.301262 0.250000 Mn\n0.698738 0.849368 0.250000 Mn\n0.150631 0.849368 0.250000 Mn\n0.849368 0.698737 0.749999 Mn\n0.301262 0.150632 0.749999 Mn\n0.849369 0.150632 0.749999 Mn\n0.333333 0.666666 0.749999 Sb\n0.666667 0.333333 0.250000 Sb\n","nsites":8,"nelements":2,"elements":["Mn","Sb"],"chemical_system":"Mn-Sb","density":8.666223590425629,"density_atomic":0.07284567860558831,"volume":109.82120220630746,"volume_molar":8.266984226485077,"formula_full":"Mn6 Sb2","formula_reduced":"Mn3Sb","formula_anonymous":"AB3","energy_above_hull":3.619759456034482,"spacegroup":194},{"id":"jvasp-117222","created_at":"2022-09-04T14:38:48.730813Z","updated_at":"2022-09-04T14:38:48.730840Z","structure_string":"Cr8 Co3 Ni1 S16\n1.0\n6.887475 -0.000000 0.000000\n-3.443738 5.616626 2.007859\n-0.000000 -0.042118 11.930733\nCr Co Ni S\n8 3 1 16\ndirect\n0.999636 0.499272 0.001093 Cr\n0.500173 0.500347 0.499481 Cr\n0.750770 0.001538 0.249208 Cr\n0.249904 -0.000192 0.750595 Cr\n0.750770 0.500023 0.249208 Cr\n0.249904 0.499501 0.750595 Cr\n0.249254 0.500023 0.249208 Cr\n0.749598 0.499501 0.750595 Cr\n0.687455 0.874911 0.937634 Co\n0.187528 0.875055 0.437417 Co\n0.812493 0.124985 0.562523 Co\n0.312490 0.124980 0.062531 Ni\n0.883097 0.744460 0.872443 S\n0.383233 0.744697 0.372069 S\n0.883097 0.266192 0.872443 S\n0.383233 0.266467 0.372069 S\n0.122321 0.744643 0.633037 S\n0.622211 0.744422 0.133368 S\n0.139316 0.255716 0.627885 S\n0.377780 0.255561 0.866659 S\n0.616399 0.255716 0.627885 S\n0.116698 0.255587 0.127716 S\n0.616399 0.732799 0.627885 S\n0.116698 0.733394 0.127716 S\n0.861464 0.744697 0.372069 S\n0.877832 0.255663 0.366506 S\n0.638890 0.255587 0.127716 S\n0.361364 0.744460 0.872443 S\n","nsites":28,"nelements":4,"elements":["Cr","Co","Ni","S"],"chemical_system":"Co-Cr-Ni-S","density":4.184454550230225,"density_atomic":0.06059093166546616,"volume":462.11535671036097,"volume_molar":9.93901330524073,"formula_full":"Cr8 Co3 Ni1 S16","formula_reduced":"Cr8Co3NiS16","formula_anonymous":"AB3C8D16","energy_above_hull":3.619634796428572,"spacegroup":160},{"id":"jvasp-70422","created_at":"2022-09-04T14:35:41.464216Z","updated_at":"2022-09-04T14:35:41.464243Z","structure_string":"Be2 P1 W1\n1.0\n-1.683995 1.683995 3.921922\n1.683995 -1.683995 3.921922\n1.683995 1.683995 -3.921922\nBe P W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749998 0.499999 Be\n0.500000 0.500000 0.000000 P\n0.749998 0.250000 0.499999 W\n","nsites":4,"nelements":3,"elements":["Be","P","W"],"chemical_system":"Be-P-W","density":8.690857996871078,"density_atomic":0.08991237148235083,"volume":44.487759960654266,"volume_molar":6.697788814503801,"formula_full":"Be2 P1 W1","formula_reduced":"Be2PW","formula_anonymous":"ABC2","energy_above_hull":3.619599425,"spacegroup":119},{"id":"jvasp-37008","created_at":"2022-09-04T14:38:06.140194Z","updated_at":"2022-09-04T14:38:06.140207Z","structure_string":"Tc1 N1\n1.0\n1.410709 -2.443420 0.000000\n1.410709 2.443420 0.000000\n-0.000000 -0.000000 2.882234\nTc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.666667 0.333333 0.499999 N\n","nsites":2,"nelements":2,"elements":["Tc","N"],"chemical_system":"N-Tc","density":9.360484003106574,"density_atomic":0.10065496486891656,"volume":19.8698594014176,"volume_molar":5.982954509837306,"formula_full":"Tc1 N1","formula_reduced":"TcN","formula_anonymous":"AB","energy_above_hull":3.619532375,"spacegroup":187},{"id":"jvasp-68164","created_at":"2022-09-04T14:36:06.916182Z","updated_at":"2022-09-04T14:36:06.916215Z","structure_string":"Be1 Tc2 Pd1\n1.0\n-1.885183 1.885183 3.776571\n1.885183 -1.885183 3.776571\n1.885183 1.885183 -3.776571\nBe Tc Pd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Tc\n0.250000 0.749999 0.499999 Tc\n0.749999 0.250000 0.499999 Pd\n","nsites":4,"nelements":3,"elements":["Be","Tc","Pd"],"chemical_system":"Be-Pd-Tc","density":9.632697258910001,"density_atomic":0.07450669797724246,"volume":53.68644844818879,"volume_molar":8.082683736486912,"formula_full":"Be1 Tc2 Pd1","formula_reduced":"BeTc2Pd","formula_anonymous":"ABC2","energy_above_hull":3.6194612,"spacegroup":119},{"id":"jvasp-65119","created_at":"2022-09-04T14:36:10.792370Z","updated_at":"2022-09-04T14:36:10.792397Z","structure_string":"Sc4 Ta1 Be1\n1.0\n0.000000 3.940067 3.940067\n3.940067 0.000000 3.940067\n3.940067 3.940067 -0.000000\nSc Ta Be\n4 1 1\ndirect\n0.128327 0.623891 0.623891 Sc\n0.623891 0.623891 0.623891 Sc\n0.623891 0.128327 0.623891 Sc\n0.623891 0.623891 0.128327 Sc\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Be\n","nsites":6,"nelements":3,"elements":["Sc","Ta","Be"],"chemical_system":"Be-Sc-Ta","density":5.019449118985431,"density_atomic":0.04904677246485685,"volume":122.33220859332057,"volume_molar":12.278362993844302,"formula_full":"Sc4 Ta1 Be1","formula_reduced":"Sc4TaBe","formula_anonymous":"ABC4","energy_above_hull":3.619374383333334,"spacegroup":216},{"id":"jvasp-92546","created_at":"2022-09-04T14:36:32.339224Z","updated_at":"2022-09-04T14:36:32.339234Z","structure_string":"Ce1 Si3 Os1\n1.0\n4.235808 0.000000 -0.000000\n0.000000 4.235808 -0.000000\n-2.117904 -2.117904 5.012729\nCe Si Os\n1 3 1\ndirect\n0.996842 0.996842 0.993681 Ce\n0.423050 0.423050 0.846098 Si\n0.765904 0.265904 0.531807 Si\n0.265904 0.765904 0.531807 Si\n0.657304 0.657304 0.314606 Os\n","nsites":5,"nelements":3,"elements":["Ce","Si","Os"],"chemical_system":"Ce-Os-Si","density":7.654807173817823,"density_atomic":0.05559340127871795,"volume":89.93873166587633,"volume_molar":10.832474037355531,"formula_full":"Ce1 Si3 Os1","formula_reduced":"CeSi3Os","formula_anonymous":"ABC3","energy_above_hull":3.61900926,"spacegroup":107},{"id":"jvasp-104579","created_at":"2022-09-04T14:36:49.401710Z","updated_at":"2022-09-04T14:36:49.401741Z","structure_string":"Hf2 Zn1 Tc1\n1.0\n4.020440 -0.000000 2.321202\n1.340147 3.790508 2.321202\n-0.000000 -0.000000 4.642405\nHf Zn Tc\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Hf\n0.750000 0.750000 0.749998 Hf\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.499999 Tc\n","nsites":4,"nelements":3,"elements":["Hf","Zn","Tc"],"chemical_system":"Hf-Tc-Zn","density":12.214147976478522,"density_atomic":0.056538718845511315,"volume":70.74797734504317,"volume_molar":10.651356951428527,"formula_full":"Hf2 Zn1 Tc1","formula_reduced":"Hf2ZnTc","formula_anonymous":"ABC2","energy_above_hull":3.618521975,"spacegroup":225},{"id":"jvasp-17439","created_at":"2022-09-04T14:37:38.571099Z","updated_at":"2022-09-04T14:37:38.571122Z","structure_string":"Mo1 N1\n1.0\n2.661355 0.000000 1.536534\n0.887118 2.509149 1.536534\n-0.000000 -0.000000 3.073068\nMo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mo\n0.499999 0.500000 0.499999 N\n","nsites":2,"nelements":2,"elements":["Mo","N"],"chemical_system":"Mo-N","density":8.896718820762757,"density_atomic":0.09746048414238846,"volume":20.521137542042442,"volume_molar":6.179058941675001,"formula_full":"Mo1 N1","formula_reduced":"MoN","formula_anonymous":"AB","energy_above_hull":3.618354575,"spacegroup":225},{"id":"jvasp-41157","created_at":"2022-09-04T14:37:37.817488Z","updated_at":"2022-09-04T14:37:37.817509Z","structure_string":"Mg1 Ta1 Ru2\n1.0\n0.000000 3.127865 3.127865\n3.127865 0.000000 3.127865\n3.127865 3.127865 -0.000000\nMg Ta Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n","nsites":4,"nelements":3,"elements":["Mg","Ta","Ru"],"chemical_system":"Mg-Ru-Ta","density":11.053212894832498,"density_atomic":0.06535607978807235,"volume":61.20318129500187,"volume_molar":9.21435431795751,"formula_full":"Mg1 Ta1 Ru2","formula_reduced":"MgTaRu2","formula_anonymous":"ABC2","energy_above_hull":3.6183173125,"spacegroup":225},{"id":"jvasp-28754","created_at":"2022-09-04T14:38:03.382491Z","updated_at":"2022-09-04T14:38:03.382513Z","structure_string":"Te2 Mo2 W2 Se2 S4\n1.0\n3.317942 0.000000 0.000000\n-1.658971 2.873431 0.000050\n0.000000 0.000643 37.573013\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333350 0.666701 0.708777 Te\n0.333343 0.666687 0.606661 Te\n0.333322 0.666642 0.093900 Mo\n0.666697 0.333394 0.281763 Mo\n0.333323 0.666647 0.469468 W\n0.666684 0.333367 0.657864 W\n0.666653 0.333306 0.424473 Se\n0.666667 0.333333 0.514167 Se\n0.333348 0.666697 0.322455 S\n0.666629 0.333257 0.053471 S\n0.666641 0.333281 0.134599 S\n0.333339 0.666680 0.241149 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.1034887653641245,"density_atomic":0.033499294482230484,"volume":358.21649934643654,"volume_molar":17.97691818015574,"formula_full":"Te2 Mo2 W2 Se2 S4","formula_reduced":"TeMoWSeS2","formula_anonymous":"ABCDE2","energy_above_hull":3.6179578388888887,"spacegroup":156},{"id":"jvasp-52217","created_at":"2022-09-04T14:36:11.066583Z","updated_at":"2022-09-04T14:36:11.066606Z","structure_string":"Ce1 Zr7 O16\n1.0\n-7.299471 -0.000000 0.000000\n-3.649736 3.646477 -5.267671\n0.000000 -3.660954 -5.277679\nCe Zr O\n1 7 16\ndirect\n0.999757 0.500485 0.999162 Ce\n0.747723 0.501700 0.498417 Zr\n0.747326 0.005346 0.496639 Zr\n0.501416 0.497169 0.996035 Zr\n0.250579 0.501700 0.498417 Zr\n0.497930 0.997153 0.002692 Zr\n0.250710 0.998581 0.504665 Zr\n0.004918 0.997153 0.002692 Zr\n0.211237 0.607756 0.107459 O\n0.330559 0.348892 0.848994 O\n0.450762 0.098393 0.598048 O\n0.072367 0.850028 0.349989 O\n0.673293 0.153416 0.151441 O\n0.554285 0.391431 0.413411 O\n0.424672 0.650657 0.649369 O\n0.820549 0.348892 0.848994 O\n0.950845 0.098393 0.598048 O\n0.681008 0.607756 0.107459 O\n0.052461 0.395080 0.403328 O\n0.577605 0.850028 0.349989 O\n0.797812 0.904375 0.901081 O\n0.923161 0.653678 0.634459 O\n0.294148 0.911706 0.886073 O\n0.184878 0.130243 0.153124 O\n","nsites":24,"nelements":3,"elements":["Ce","Zr","O"],"chemical_system":"Ce-O-Zr","density":6.108949067237816,"density_atomic":0.08533455825242875,"volume":281.2459628490187,"volume_molar":7.0570949019105065,"formula_full":"Ce1 Zr7 O16","formula_reduced":"CeZr7O16","formula_anonymous":"AB7C16","energy_above_hull":3.617575125,"spacegroup":8}]}