{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=537","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=535","results":[{"id":"jvasp-15576","created_at":"2022-09-04T14:37:11.356700Z","updated_at":"2022-09-04T14:37:11.356718Z","structure_string":"Tm1 B1 Rh3\n1.0\n4.174906 -0.000000 -0.000000\n-0.000000 4.174906 -0.000000\n0.000000 0.000000 4.174906\nTm B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 B\n0.000000 0.500001 0.500001 Rh\n0.500001 0.500001 0.000000 Rh\n0.500001 0.000000 0.500001 Rh\n","nsites":5,"nelements":3,"elements":["Tm","B","Rh"],"chemical_system":"B-Rh-Tm","density":11.146525610815358,"density_atomic":0.06871157437956842,"volume":72.76794404942007,"volume_molar":8.764376037628242,"formula_full":"Tm1 B1 Rh3","formula_reduced":"TmBRh3","formula_anonymous":"ABC3","energy_above_hull":2.9254311666666672,"spacegroup":221},{"id":"jvasp-36454","created_at":"2022-09-04T14:37:20.009118Z","updated_at":"2022-09-04T14:37:20.009140Z","structure_string":"Sr3 Sb1 P1\n1.0\n6.054589 0.000000 0.000000\n0.000000 6.054589 -0.000000\n0.000000 -0.000000 6.054589\nSr Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 P\n","nsites":5,"nelements":3,"elements":["Sr","Sb","P"],"chemical_system":"P-Sb-Sr","density":3.1093106550975573,"density_atomic":0.022527655790507462,"volume":221.94941393355555,"volume_molar":26.732212246147537,"formula_full":"Sr3 Sb1 P1","formula_reduced":"Sr3SbP","formula_anonymous":"ABC3","energy_above_hull":0.5458721059999999,"spacegroup":221},{"id":"jvasp-12731","created_at":"2022-09-04T14:37:06.843280Z","updated_at":"2022-09-04T14:37:06.843295Z","structure_string":"Na2 Mn2 Cl6\n1.0\n5.845374 -0.008193 4.261165\n2.162413 5.430694 4.261164\n-0.012099 -0.008192 7.233655\nNa Mn Cl\n2 2 6\ndirect\n0.853211 0.853213 0.853213 Na\n0.146787 0.146787 0.146787 Na\n0.659031 0.659032 0.659032 Mn\n0.340967 0.340968 0.340968 Mn\n0.931959 0.551684 0.282655 Cl\n0.282655 0.931960 0.551685 Cl\n0.448315 0.717344 0.068040 Cl\n0.068039 0.448316 0.717345 Cl\n0.717344 0.068040 0.448316 Cl\n0.551683 0.282656 0.931961 Cl\n","nsites":10,"nelements":3,"elements":["Na","Mn","Cl"],"chemical_system":"Cl-Mn-Na","density":2.6590913217388894,"density_atomic":0.04344701030647155,"volume":230.16543438687364,"volume_molar":13.860886439642973,"formula_full":"Na2 Mn2 Cl6","formula_reduced":"NaMnCl3","formula_anonymous":"ABC3","energy_above_hull":0.5597605627298852,"spacegroup":148},{"id":"jvasp-36642","created_at":"2022-09-04T14:37:20.006915Z","updated_at":"2022-09-04T14:37:20.006944Z","structure_string":"Ba1 V1 O3\n1.0\n3.958677 -0.000000 0.000000\n0.000000 3.958677 0.000000\n-0.000000 0.000000 3.958677\nBa V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","V","O"],"chemical_system":"Ba-O-V","density":6.324139036675619,"density_atomic":0.08059717149694115,"volume":62.03691652119282,"volume_molar":7.471900872139854,"formula_full":"Ba1 V1 O3","formula_reduced":"BaVO3","formula_anonymous":"ABC3","energy_above_hull":1.834166134,"spacegroup":221},{"id":"jvasp-15761","created_at":"2022-09-04T14:37:10.314658Z","updated_at":"2022-09-04T14:37:10.314691Z","structure_string":"La3 Tl1 C1\n1.0\n5.226480 -0.000000 -0.000000\n0.000000 5.226480 -0.000000\n-0.000000 0.000000 5.226480\nLa Tl C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 C\n","nsites":5,"nelements":3,"elements":["La","Tl","C"],"chemical_system":"C-La-Tl","density":7.36377776902604,"density_atomic":0.035022095329121594,"volume":142.76701473776177,"volume_molar":17.195261172715917,"formula_full":"La3 Tl1 C1","formula_reduced":"La3TlC","formula_anonymous":"ABC3","energy_above_hull":2.28440952,"spacegroup":221},{"id":"jvasp-22655","created_at":"2022-09-04T14:37:02.009533Z","updated_at":"2022-09-04T14:37:02.009560Z","structure_string":"Rb2 V2 Br6\n1.0\n7.618353 -0.000000 0.000000\n-3.809176 6.597686 0.000000\n-0.000000 -0.000000 5.503257\nRb V Br\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.167595 0.335191 0.250000 Br\n0.832404 0.167596 0.750000 Br\n0.167595 0.832405 0.250000 Br\n0.335191 0.167596 0.750000 Br\n0.664809 0.832405 0.250000 Br\n0.832404 0.664809 0.750000 Br\n","nsites":10,"nelements":3,"elements":["Rb","V","Br"],"chemical_system":"Br-Rb-V","density":4.515797848952459,"density_atomic":0.03615159564147904,"volume":276.61296334390175,"volume_molar":16.658022012976968,"formula_full":"Rb2 V2 Br6","formula_reduced":"RbVBr3","formula_anonymous":"ABC3","energy_above_hull":0.449905303,"spacegroup":194},{"id":"jvasp-36634","created_at":"2022-09-04T14:37:12.032644Z","updated_at":"2022-09-04T14:37:12.032664Z","structure_string":"Mn1 Zn1 O3\n1.0\n3.704675 0.000000 0.000000\n0.000000 3.704675 0.000000\n-0.000000 0.000000 3.704675\nMn Zn O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n","nsites":5,"nelements":3,"elements":["Mn","Zn","O"],"chemical_system":"Mn-O-Zn","density":5.49793508273734,"density_atomic":0.09833761259199326,"volume":50.84524494961254,"volume_molar":6.123944441264917,"formula_full":"Mn1 Zn1 O3","formula_reduced":"MnZnO3","formula_anonymous":"ABC3","energy_above_hull":1.8629536282758616,"spacegroup":221},{"id":"jvasp-9426","created_at":"2022-09-04T14:37:17.709004Z","updated_at":"2022-09-04T14:37:17.709014Z","structure_string":"Li2 Ta2 O6\n1.0\n4.567605 0.009650 3.078611\n1.642636 4.262025 3.078611\n0.014029 0.009650 5.508236\nLi Ta O\n2 2 6\ndirect\n0.281083 0.281083 0.281083 Li\n0.781083 0.781082 0.781084 Li\n0.999383 0.999382 0.999384 Ta\n0.499383 0.499383 0.499383 Ta\n0.613206 0.225930 0.868599 O\n0.725930 0.113206 0.368599 O\n0.113206 0.368598 0.725931 O\n0.368599 0.725930 0.113206 O\n0.868598 0.613205 0.225931 O\n0.225931 0.868597 0.613206 O\n","nsites":10,"nelements":3,"elements":["Li","Ta","O"],"chemical_system":"Li-O-Ta","density":7.330236927875943,"density_atomic":0.09356959821426851,"volume":106.87231954443823,"volume_molar":6.436001516443061,"formula_full":"Li2 Ta2 O6","formula_reduced":"LiTaO3","formula_anonymous":"ABC3","energy_above_hull":2.53298594,"spacegroup":161},{"id":"jvasp-5311","created_at":"2022-09-04T14:37:10.096590Z","updated_at":"2022-09-04T14:37:10.096610Z","structure_string":"Hg2 P2 S6\n1.0\n6.348621 -0.007945 0.072711\n-3.085686 5.497432 -0.058377\n-2.092786 -1.989243 6.581709\nHg P S\n2 2 6\ndirect\n0.115163 0.743706 0.333294 Hg\n0.884835 0.256293 0.666706 Hg\n0.546327 0.563992 0.670387 P\n0.453671 0.436007 0.329612 P\n0.505769 0.140890 0.280743 S\n0.494229 0.859109 0.719256 S\n0.076335 0.326181 0.185709 S\n0.923663 0.673818 0.814290 S\n0.293513 0.253689 0.738421 S\n0.706484 0.746310 0.261578 S\n","nsites":10,"nelements":3,"elements":["Hg","P","S"],"chemical_system":"Hg-P-S","density":4.730765462016254,"density_atomic":0.04346082977432899,"volume":230.09224747721453,"volume_molar":13.85647902092541,"formula_full":"Hg2 P2 S6","formula_reduced":"HgPS3","formula_anonymous":"ABC3","energy_above_hull":1.4541260200000004,"spacegroup":2},{"id":"jvasp-34213","created_at":"2022-09-04T14:37:11.982065Z","updated_at":"2022-09-04T14:37:11.982080Z","structure_string":"Ca2 C2 O6\n1.0\n3.728431 -0.000018 -0.000000\n-0.000025 5.166463 -1.464983\n0.000001 -0.298181 5.361827\nCa C O\n2 2 6\ndirect\n0.750005 0.805998 0.193995 Ca\n0.250000 0.193996 0.806003 Ca\n-0.000004 0.357714 0.357713 C\n0.499997 0.642287 0.642289 C\n0.749998 0.414699 0.585304 O\n0.250000 0.585302 0.414699 O\n0.668990 0.866852 0.650227 O\n0.331010 0.650225 0.866852 O\n0.168987 0.133150 0.349776 O\n0.831008 0.349774 0.133147 O\n","nsites":10,"nelements":3,"elements":["Ca","C","O"],"chemical_system":"C-Ca-O","density":3.2698444766843107,"density_atomic":0.0983718334202898,"volume":101.6551146025244,"volume_molar":6.121814091103334,"formula_full":"Ca2 C2 O6","formula_reduced":"CaCO3","formula_anonymous":"ABC3","energy_above_hull":2.3063061840000003,"spacegroup":20},{"id":"jvasp-103729","created_at":"2022-09-04T14:37:11.925250Z","updated_at":"2022-09-04T14:37:11.925271Z","structure_string":"Ba1 Ga3 Sn1\n1.0\n4.514887 -0.015573 -4.514935\n-0.785476 4.446063 -4.514935\n0.013109 0.015573 6.385034\nBa Ga Sn\n1 3 1\ndirect\n0.999776 0.999776 0.000001 Ba\n0.361681 0.361682 0.000001 Ga\n0.758918 0.258917 0.500001 Ga\n0.258917 0.758917 0.500000 Ga\n0.620708 0.620708 0.000001 Sn\n","nsites":5,"nelements":3,"elements":["Ba","Ga","Sn"],"chemical_system":"Ba-Ga-Sn","density":6.000948473120078,"density_atomic":0.03884145562516918,"volume":128.72844025855744,"volume_molar":15.504415741045674,"formula_full":"Ba1 Ga3 Sn1","formula_reduced":"BaGa3Sn","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":107},{"id":"jvasp-60099","created_at":"2022-09-04T14:37:13.757900Z","updated_at":"2022-09-04T14:37:13.757930Z","structure_string":"Y6 Co6 O18\n1.0\n3.013944 -5.220304 0.000000\n3.013944 5.220304 -0.000000\n0.000000 0.000000 11.513008\nY Co O\n6 6 18\ndirect\n0.333332 0.666666 0.231611 Y\n0.666666 0.333332 0.731611 Y\n0.333332 0.666666 0.731611 Y\n0.666666 0.333332 0.231611 Y\n0.000000 0.000000 0.779999 Y\n0.000000 0.000000 0.279999 Y\n0.334231 0.334231 0.001393 Co\n-0.000000 0.334231 0.501393 Co\n0.334231 -0.000000 0.501393 Co\n-0.000000 0.665768 0.001393 Co\n0.665768 0.665768 0.501393 Co\n0.665768 -0.000000 0.001393 Co\n0.637940 -0.000000 0.840540 O\n0.696457 -0.000000 0.162675 O\n0.303542 -0.000000 0.662675 O\n-0.000000 0.303542 0.662675 O\n0.303541 0.303541 0.162675 O\n0.637940 0.637940 0.340540 O\n-0.000000 0.637940 0.840540 O\n0.362059 -0.000000 0.340540 O\n0.333332 0.666666 0.517987 O\n0.362058 0.362058 0.840540 O\n0.000000 0.000000 0.481983 O\n0.000000 0.000000 0.981983 O\n0.666666 0.333332 0.017987 O\n-0.000000 0.696457 0.162675 O\n0.666666 0.333332 0.517987 O\n0.333332 0.666666 0.017987 O\n-0.000000 0.362059 0.340540 O\n0.696457 0.696457 0.662675 O\n","nsites":30,"nelements":3,"elements":["Y","Co","O"],"chemical_system":"Co-O-Y","density":5.3857459488521755,"density_atomic":0.08280784437300463,"volume":362.284518177604,"volume_molar":7.272427878781034,"formula_full":"Y6 Co6 O18","formula_reduced":"YCoO3","formula_anonymous":"ABC3","energy_above_hull":2.37827737,"spacegroup":185}]}