{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=3413","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=3411","results":[{"id":"jvasp-50424","created_at":"2022-09-04T14:37:16.665428Z","updated_at":"2022-09-04T14:37:16.665440Z","structure_string":"Ce2 Hf2 O8\n1.0\n-0.000001 5.285726 -0.000000\n2.642863 -2.642862 5.384071\n5.285726 0.000001 0.000000\nCe Hf O\n2 2 8\ndirect\n0.875001 0.250000 0.375000 Ce\n0.125000 0.750000 0.625000 Ce\n0.625001 0.750000 0.125000 Hf\n0.375000 0.250000 0.875001 Hf\n0.055641 0.043568 0.220278 O\n0.279723 0.543568 0.012073 O\n0.763847 0.543568 0.444359 O\n0.512073 0.956432 0.263847 O\n0.487927 0.043568 0.736154 O\n0.236153 0.456432 0.555641 O\n0.720278 0.456432 0.987928 O\n0.944360 0.956432 0.779723 O\n","nsites":12,"nelements":3,"elements":["Ce","Hf","O"],"chemical_system":"Ce-Hf-O","density":8.447108524094073,"density_atomic":0.07977396432966627,"volume":150.4250177465162,"volume_molar":7.549005255791822,"formula_full":"Ce2 Hf2 O8","formula_reduced":"CeHfO4","formula_anonymous":"ABC4","energy_above_hull":2.5861220833333336,"spacegroup":88},{"id":"jvasp-105394","created_at":"2022-09-04T14:37:16.669596Z","updated_at":"2022-09-04T14:37:16.669621Z","structure_string":"Ta1 Co6 Mo1\n1.0\n5.125050 -0.000000 0.000000\n-2.562525 4.438423 0.000000\n-0.000000 -0.000000 4.102237\nTa Co Mo\n1 6 1\ndirect\n0.666667 0.333333 0.500000 Ta\n0.842372 0.157628 -0.000000 Co\n0.842372 0.684743 -0.000000 Co\n0.315257 0.157628 -0.000000 Co\n0.161901 0.838099 0.500000 Co\n0.161900 0.323799 0.500000 Co\n0.676201 0.838099 0.500000 Co\n0.333334 0.666666 -0.000000 Mo\n","nsites":8,"nelements":3,"elements":["Ta","Co","Mo"],"chemical_system":"Co-Mo-Ta","density":11.219609051412688,"density_atomic":0.08573189885898741,"volume":93.31415851593898,"volume_molar":7.024387468549216,"formula_full":"Ta1 Co6 Mo1","formula_reduced":"TaCo6Mo","formula_anonymous":"ABC6","energy_above_hull":4.695347562499999,"spacegroup":187},{"id":"jvasp-81573","created_at":"2022-09-04T14:37:16.683728Z","updated_at":"2022-09-04T14:37:16.683752Z","structure_string":"Sc1 Ti1 Co2\n1.0\n-9.267928 2.663728 -1.000989\n-7.047969 1.851439 1.817414\n-6.221440 4.189207 0.385829\nSc Ti Co\n1 1 2\ndirect\n0.000000 -0.000000 -0.000000 Sc\n0.500000 -0.000000 0.000000 Ti\n0.784451 -0.033700 -0.033699 Co\n0.215549 0.033699 0.033700 Co\n","nsites":4,"nelements":3,"elements":["Sc","Ti","Co"],"chemical_system":"Co-Sc-Ti","density":5.920696525290303,"density_atomic":0.06769260241768289,"volume":59.090651816262664,"volume_molar":8.896305570942085,"formula_full":"Sc1 Ti1 Co2","formula_reduced":"ScTiCo2","formula_anonymous":"ABC2","energy_above_hull":3.218238845833333,"spacegroup":12},{"id":"jvasp-11323","created_at":"2022-09-04T14:37:16.738331Z","updated_at":"2022-09-04T14:37:16.738345Z","structure_string":"Ti3 Zn2 O8\n1.0\n4.659840 -0.336335 -2.079776\n-0.884990 5.259819 -2.833466\n-0.648888 -0.086285 6.479391\nTi Zn O\n3 2 8\ndirect\n0.500000 0.999999 -0.000001 Ti\n0.999999 0.734174 -0.000002 Ti\n0.999999 0.265824 -0.000001 Ti\n0.715359 0.685531 0.371061 Zn\n0.284639 0.314469 0.628937 Zn\n0.005152 0.389581 0.779165 O\n0.994847 0.610416 0.220833 O\n0.028055 0.889373 0.778747 O\n0.971944 0.110624 0.221250 O\n0.454867 0.338049 0.212711 O\n0.454867 0.874661 0.212710 O\n0.545133 0.125336 0.787287 O\n0.545133 0.661949 0.787287 O\n","nsites":13,"nelements":3,"elements":["Ti","Zn","O"],"chemical_system":"O-Ti-Zn","density":4.519125040030398,"density_atomic":0.08791749706213428,"volume":147.86590194682702,"volume_molar":6.849763654831926,"formula_full":"Ti3 Zn2 O8","formula_reduced":"Ti3Zn2O8","formula_anonymous":"A2B3C8","energy_above_hull":2.401129523076923,"spacegroup":12},{"id":"jvasp-30532","created_at":"2022-09-04T14:37:16.688503Z","updated_at":"2022-09-04T14:37:16.688525Z","structure_string":"Mn8 Zn2 O18\n1.0\n4.441758 0.000080 0.000122\n0.000253 8.377793 0.000055\n0.000467 0.000058 8.377993\nMn Zn O\n8 2 18\ndirect\n0.580019 0.533561 0.340326 Mn\n0.419981 0.840331 0.466441 Mn\n0.580035 0.340331 0.966435 Mn\n0.419961 0.033559 0.840331 Mn\n0.580039 0.966442 0.159669 Mn\n0.580016 0.159668 0.533559 Mn\n0.419982 0.466438 0.659671 Mn\n0.419970 0.659670 0.033562 Mn\n0.969842 0.749993 0.750008 Zn\n0.030159 0.250006 0.249993 Zn\n0.551638 0.857339 0.956282 O\n0.551634 0.543724 0.857334 O\n0.448369 0.456277 0.142662 O\n0.448353 0.357341 0.456284 O\n0.448365 0.142662 0.043718 O\n0.448368 0.043722 0.357341 O\n0.946886 0.181433 0.484123 O\n0.946900 0.015881 0.181428 O\n0.053104 0.515870 0.681438 O\n0.946899 0.318569 0.015863 O\n0.053111 0.818566 0.515879 O\n0.053101 0.984120 0.818573 O\n0.551646 0.642657 0.543713 O\n0.053103 0.681432 0.984134 O\n0.500000 0.250000 0.750000 O\n0.499999 0.750001 0.249998 O\n0.946897 0.484128 0.318559 O\n0.551630 0.956277 0.642659 O\n","nsites":28,"nelements":3,"elements":["Mn","Zn","O"],"chemical_system":"Mn-O-Zn","density":4.571613939219927,"density_atomic":0.08981182477053999,"volume":311.7629562870717,"volume_molar":6.705287166123117,"formula_full":"Mn8 Zn2 O18","formula_reduced":"Mn4ZnO9","formula_anonymous":"AB4C9","energy_above_hull":3.167562918965517,"spacegroup":85},{"id":"jvasp-80023","created_at":"2022-09-04T14:37:16.693565Z","updated_at":"2022-09-04T14:37:16.693586Z","structure_string":"Yb1 Mg1 Tl2\n1.0\n-0.000000 3.699686 3.699686\n3.699686 -0.000000 3.699686\n3.699686 3.699686 -0.000000\nYb Mg Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n","nsites":4,"nelements":3,"elements":["Yb","Mg","Tl"],"chemical_system":"Mg-Tl-Yb","density":9.937499026177354,"density_atomic":0.03949438879485832,"volume":101.28021022876926,"volume_molar":15.248092055001006,"formula_full":"Yb1 Mg1 Tl2","formula_reduced":"YbMgTl2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-107438","created_at":"2022-09-04T14:37:16.701976Z","updated_at":"2022-09-04T14:37:16.701997Z","structure_string":"Er2 Cd1 Os1\n1.0\n4.287941 -0.000000 2.475644\n1.429314 4.042709 2.475644\n-0.000000 -0.000000 4.951288\nEr Cd Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750000 0.750000 Er\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Os\n","nsites":4,"nelements":3,"elements":["Er","Cd","Os"],"chemical_system":"Cd-Er-Os","density":12.327001492141505,"density_atomic":0.04660371314542222,"volume":85.83007082543831,"volume_molar":12.922019198788973,"formula_full":"Er2 Cd1 Os1","formula_reduced":"Er2CdOs","formula_anonymous":"ABC2","energy_above_hull":1.6088936875000002,"spacegroup":225},{"id":"jvasp-11542","created_at":"2022-09-04T14:37:16.706855Z","updated_at":"2022-09-04T14:37:16.706881Z","structure_string":"Mg2 Cr3 O8\n1.0\n4.628505 0.004046 -1.438133\n-0.846470 5.030876 -2.710134\n-0.063361 -0.156925 5.885204\nMg Cr O\n2 3 8\ndirect\n0.656031 0.726576 0.453149 Mg\n0.343968 0.273427 0.546853 Mg\n0.500000 1.000000 0.000001 Cr\n0.999998 0.733922 0.000001 Cr\n0.999998 0.266080 0.000001 Cr\n0.074976 0.393508 0.787015 O\n0.925024 0.606493 0.212986 O\n0.080973 0.894139 0.788275 O\n0.919027 0.105863 0.211726 O\n0.403619 0.341541 0.226874 O\n0.403619 0.885335 0.226875 O\n0.596382 0.114667 0.773127 O\n0.596382 0.658462 0.773128 O\n","nsites":13,"nelements":3,"elements":["Mg","Cr","O"],"chemical_system":"Cr-Mg-O","density":4.107961087994623,"density_atomic":0.09669562361312592,"volume":134.44248575315376,"volume_molar":6.227935179459897,"formula_full":"Mg2 Cr3 O8","formula_reduced":"Mg2Cr3O8","formula_anonymous":"A2B3C8","energy_above_hull":2.839602946153846,"spacegroup":12},{"id":"jvasp-82056","created_at":"2022-09-04T14:37:16.711922Z","updated_at":"2022-09-04T14:37:16.711956Z","structure_string":"Li1 Al2 Au1\n1.0\n-9.159277 0.000017 -5.288083\n-8.775358 -0.090307 4.623124\n-5.935648 7.941611 -0.295401\nLi Al Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.733700 0.000002 0.000002 Al\n0.266300 0.999998 0.999998 Al\n0.500000 0.000000 0.000000 Au\n","nsites":4,"nelements":3,"elements":["Li","Al","Au"],"chemical_system":"Al-Au-Li","density":0.6053194959729501,"density_atomic":0.005654492691585931,"volume":707.4020992107975,"volume_molar":106.50187538417269,"formula_full":"Li1 Al2 Au1","formula_reduced":"LiAl2Au","formula_anonymous":"ABC2","energy_above_hull":1.4320282925,"spacegroup":71},{"id":"jvasp-40704","created_at":"2022-09-04T14:37:16.730589Z","updated_at":"2022-09-04T14:37:16.730603Z","structure_string":"Li8 V2 F12\n1.0\n2.422867 4.399491 0.000554\n-2.594613 4.295957 -0.305842\n4.418591 0.432891 10.028739\nLi V F\n8 2 12\ndirect\n0.274157 0.760330 0.061687 Li\n0.866717 0.503671 0.121909 Li\n0.300945 0.400764 0.342495 Li\n0.455799 0.900745 0.842496 Li\n0.714195 0.641339 0.579431 Li\n0.403791 0.260365 0.561691 Li\n0.565037 0.141323 0.079431 Li\n0.007711 0.003662 0.621908 Li\n-0.020719 0.052617 0.334800 V\n0.133321 0.552603 0.834795 V\n0.666499 0.711059 0.965498 F\n0.127214 0.246026 0.207498 F\n0.509280 0.496538 0.465675 F\n0.864376 0.853227 0.469290 F\n-0.080726 0.746017 0.707495 F\n0.313123 0.353200 -0.030711 F\n0.028512 0.996525 0.965674 F\n0.767593 0.946887 0.205729 F\n0.429303 0.585702 0.198426 F\n0.286564 0.085709 0.698424 F\n0.156949 0.211077 0.465488 F\n0.579794 0.446907 0.705734 F\n","nsites":22,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":3.001307293660704,"density_atomic":0.10317667636395934,"volume":213.22648466010116,"volume_molar":5.8367268381050454,"formula_full":"Li8 V2 F12","formula_reduced":"Li4VF6","formula_anonymous":"AB4C6","energy_above_hull":0.4177596268181819,"spacegroup":9},{"id":"jvasp-81225","created_at":"2022-09-04T14:37:16.733715Z","updated_at":"2022-09-04T14:37:16.733740Z","structure_string":"Tl1 Sn1 Pb2\n1.0\n-10.258371 0.000786 -5.921391\n-10.198413 0.379817 5.817502\n-6.998356 9.430943 0.274842\nTl Sn Pb\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Tl\n0.000001 -0.000000 0.000000 Sn\n0.767680 -0.000000 0.000000 Pb\n0.232321 0.000000 0.000000 Pb\n","nsites":4,"nelements":3,"elements":["Tl","Sn","Pb"],"chemical_system":"Pb-Sn-Tl","density":1.097832733007315,"density_atomic":0.003585824170275323,"volume":1115.5036638879246,"volume_molar":167.94300205572029,"formula_full":"Tl1 Sn1 Pb2","formula_reduced":"TlSnPb2","formula_anonymous":"ABC2","energy_above_hull":0.414031485,"spacegroup":71},{"id":"jvasp-50613","created_at":"2022-09-04T14:37:16.738972Z","updated_at":"2022-09-04T14:37:16.738992Z","structure_string":"Ba1 Ca1 I4\n1.0\n9.646695 0.159043 0.098423\n1.781114 -5.428144 0.000000\n1.781114 -2.421857 -4.857918\nBa Ca I\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500001 Ca\n0.142042 0.619319 0.619319 I\n0.394480 0.868506 0.868507 I\n0.605519 0.131493 0.131494 I\n0.857957 0.380681 0.380682 I\n","nsites":6,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.438508017544096,"density_atomic":0.023411761127111123,"volume":256.2814462108928,"volume_molar":25.722715720972754,"formula_full":"Ba1 Ca1 I4","formula_reduced":"BaCaI4","formula_anonymous":"ABC4","energy_above_hull":0.0113966666666666,"spacegroup":166}]}