{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3563","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=3561","results":[{"id":"jvasp-68443","created_at":"2022-09-04T14:36:16.782228Z","updated_at":"2022-09-04T14:36:16.782248Z","structure_string":"Na1 Be2 Pt1\n1.0\n2.995689 -0.000000 0.000000\n-0.000000 2.995689 0.000000\n-0.000000 0.000000 6.602479\nNa Be Pt\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.670001 Be\n0.000000 0.000000 0.329999 Be\n0.500000 0.500000 0.500000 Pt\n","nsites":4,"nelements":3,"elements":["Na","Be","Pt"],"chemical_system":"Be-Na-Pt","density":6.616695864262355,"density_atomic":0.06750866399644397,"volume":59.251653983416126,"volume_molar":8.920545013773665,"formula_full":"Na1 Be2 Pt1","formula_reduced":"NaBe2Pt","formula_anonymous":"ABC2","energy_above_hull":1.37308815,"spacegroup":123},{"id":"jvasp-74642","created_at":"2022-09-04T14:36:16.771867Z","updated_at":"2022-09-04T14:36:16.771902Z","structure_string":"La2 Mg1 Be1\n1.0\n-2.672099 2.672099 3.779516\n2.672099 -2.672099 3.779516\n2.672099 2.672099 -3.779516\nLa Mg Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.000000 La\n0.250000 0.750001 0.500000 Mg\n0.750001 0.250000 0.500000 Be\n","nsites":4,"nelements":3,"elements":["La","Mg","Be"],"chemical_system":"Be-La-Mg","density":4.786158717272222,"density_atomic":0.03705601579155863,"volume":107.9446862960157,"volume_molar":16.251452379216243,"formula_full":"La2 Mg1 Be1","formula_reduced":"La2MgBe","formula_anonymous":"ABC2","energy_above_hull":1.2159087875,"spacegroup":225},{"id":"jvasp-48683","created_at":"2022-09-04T14:36:16.770473Z","updated_at":"2022-09-04T14:36:16.770502Z","structure_string":"V8 O8 F8\n1.0\n-4.631609 0.006001 0.000000\n-0.005955 4.666750 -6.125159\n0.005955 -4.666750 -6.125159\nV O F\n8 8 8\ndirect\n0.433194 0.134529 0.615471 V\n0.523880 0.887262 0.361301 V\n0.553639 0.607883 0.142117 V\n0.523879 0.388699 0.862738 V\n0.988923 0.503579 0.514782 V\n0.987741 0.755829 0.766519 V\n0.988923 0.235218 0.246421 V\n0.987741 0.983481 0.994172 V\n0.193823 0.977108 0.772892 O\n0.299812 0.099457 0.395896 O\n0.299812 0.354104 0.650543 O\n0.704209 0.396783 0.099033 O\n0.704209 0.650967 0.353218 O\n0.806690 0.024573 0.210113 O\n0.806690 0.539887 0.725427 O\n0.791996 0.768579 0.981421 O\n0.792437 0.273882 0.476118 F\n0.701812 0.913016 0.596351 F\n0.701811 0.153649 0.836984 F\n0.296617 0.596952 0.913292 F\n0.296618 0.836709 0.153048 F\n0.207787 0.215930 0.018879 F\n0.207787 0.731121 0.534070 F\n0.199973 0.470802 0.279198 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.311593839969957,"density_atomic":0.09063964000078473,"volume":264.7848115878684,"volume_molar":6.644047527050926,"formula_full":"V8 O8 F8","formula_reduced":"VOF","formula_anonymous":"ABC","energy_above_hull":1.0588493275,"spacegroup":8},{"id":"jvasp-71043","created_at":"2022-09-04T14:36:16.770460Z","updated_at":"2022-09-04T14:36:16.770479Z","structure_string":"Mn1 Be1 Pd2\n1.0\n2.710003 0.000000 0.000000\n-0.000000 2.710003 0.000000\n-0.000000 -0.000000 6.660636\nMn Be Pd\n1 1 2\ndirect\n0.500000 0.500000 0.718953 Mn\n0.000000 0.000000 0.507037 Be\n0.000000 0.000000 0.974625 Pd\n0.500000 0.500000 0.299385 Pd\n","nsites":4,"nelements":3,"elements":["Mn","Be","Pd"],"chemical_system":"Be-Mn-Pd","density":9.3960345634181,"density_atomic":0.08177202404806475,"volume":48.91648514960131,"volume_molar":7.364548976383718,"formula_full":"Mn1 Be1 Pd2","formula_reduced":"MnBePd2","formula_anonymous":"ABC2","energy_above_hull":2.3229711853448274,"spacegroup":99},{"id":"jvasp-65043","created_at":"2022-09-04T14:36:16.764006Z","updated_at":"2022-09-04T14:36:16.764029Z","structure_string":"Sr4 Ti1 Be1\n1.0\n-0.000000 4.855937 4.855937\n4.855937 0.000000 4.855937\n4.855937 4.855937 0.000000\nSr Ti Be\n4 1 1\ndirect\n0.125607 0.624798 0.624798 Sr\n0.624798 0.624798 0.624798 Sr\n0.624798 0.125607 0.624798 Sr\n0.624798 0.624798 0.125607 Sr\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Be\n","nsites":6,"nelements":3,"elements":["Sr","Ti","Be"],"chemical_system":"Be-Sr-Ti","density":2.953775478293568,"density_atomic":0.026200050219858346,"volume":229.00719462943226,"volume_molar":22.98522601851929,"formula_full":"Sr4 Ti1 Be1","formula_reduced":"Sr4TiBe","formula_anonymous":"ABC4","energy_above_hull":0.8266016122222223,"spacegroup":216},{"id":"jvasp-97980","created_at":"2022-09-04T14:36:16.760758Z","updated_at":"2022-09-04T14:36:16.760784Z","structure_string":"Sb2 Mo4 S4\n1.0\n3.219211 0.000000 0.000000\n0.000000 6.308482 -1.758556\n0.000000 0.002335 9.498516\nSb Mo S\n2 4 4\ndirect\n0.750000 0.003309 0.662718 Sb\n0.250000 0.996690 0.337281 Sb\n0.750000 0.105064 0.113363 Mo\n0.750000 0.339032 0.520309 Mo\n0.250000 0.894935 0.886637 Mo\n0.250000 0.660967 0.479690 Mo\n0.250000 0.266441 0.992087 S\n0.250000 0.525125 0.690838 S\n0.750000 0.733557 0.007913 S\n0.750000 0.474874 0.309162 S\n","nsites":10,"nelements":3,"elements":["Sb","Mo","S"],"chemical_system":"Mo-S-Sb","density":6.5034937840616776,"density_atomic":0.0518370371031832,"volume":192.91226039973495,"volume_molar":11.617447864569778,"formula_full":"Sb2 Mo4 S4","formula_reduced":"Sb(MoS)2","formula_anonymous":"AB2C2","energy_above_hull":3.58478158,"spacegroup":11},{"id":"jvasp-88331","created_at":"2022-09-04T14:36:16.758308Z","updated_at":"2022-09-04T14:36:16.758327Z","structure_string":"Ba12 Al4 H4 O16\n1.0\n10.563874 0.000000 0.000000\n0.000000 8.236890 -0.000000\n0.000000 0.000000 7.292094\nBa Al H O\n12 4 4 16\ndirect\n0.834137 0.025296 0.399099 Ba\n0.535764 0.750000 0.401137 Ba\n0.035765 0.750000 0.098862 Ba\n0.464235 0.250000 0.598862 Ba\n0.334137 0.025296 0.100901 Ba\n0.834137 0.474704 0.399099 Ba\n0.964235 0.250000 0.901137 Ba\n0.165863 0.974704 0.600901 Ba\n0.665863 0.974704 0.899098 Ba\n0.165863 0.525296 0.600901 Ba\n0.334137 0.474704 0.100901 Ba\n0.665863 0.525296 0.899098 Ba\n0.603422 0.250000 0.189103 Al\n0.103422 0.250000 0.310897 Al\n0.396577 0.750000 0.810897 Al\n0.896577 0.750000 0.689102 Al\n0.769988 0.750000 0.160523 H\n0.269988 0.750000 0.339477 H\n0.230012 0.250000 0.839476 H\n0.730011 0.250000 0.660523 H\n0.267963 0.250000 0.371614 O\n0.767963 0.250000 0.128386 O\n0.988501 0.750000 0.482395 O\n0.488501 0.750000 0.017605 O\n0.011499 0.250000 0.517604 O\n0.511499 0.250000 0.982395 O\n0.232037 0.750000 0.871613 O\n0.072329 0.065304 0.194723 O\n0.927670 0.565304 0.805276 O\n0.427671 0.934696 0.694723 O\n0.927670 0.934696 0.805276 O\n0.427671 0.565304 0.694723 O\n0.072329 0.434696 0.194723 O\n0.572329 0.065304 0.305276 O\n0.572329 0.434696 0.305276 O\n0.732037 0.750000 0.628386 O\n","nsites":36,"nelements":4,"elements":["Ba","Al","H","O"],"chemical_system":"Al-Ba-H-O","density":5.275618478048951,"density_atomic":0.05673665969696651,"volume":634.5103887376856,"volume_molar":10.614196874057393,"formula_full":"Ba12 Al4 H4 O16","formula_reduced":"Ba3AlHO4","formula_anonymous":"ABC3D4","energy_above_hull":1.4328160788888888,"spacegroup":62},{"id":"jvasp-63903","created_at":"2022-09-04T14:36:16.757844Z","updated_at":"2022-09-04T14:36:16.757869Z","structure_string":"Ba4 Hf1 Sb1\n1.0\n0.000000 4.976055 4.976055\n4.976055 0.000000 4.976055\n4.976055 4.976055 0.000000\nBa Hf Sb\n4 1 1\ndirect\n0.123587 0.625470 0.625470 Ba\n0.625470 0.625470 0.625470 Ba\n0.625470 0.123587 0.625470 Ba\n0.625470 0.625470 0.123587 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Sb\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Sb"],"chemical_system":"Ba-Hf-Sb","density":5.72475123992061,"density_atomic":0.024348137121679995,"volume":246.42542343239467,"volume_molar":24.733476445874718,"formula_full":"Ba4 Hf1 Sb1","formula_reduced":"Ba4HfSb","formula_anonymous":"ABC4","energy_above_hull":1.22421883,"spacegroup":216},{"id":"jvasp-19908","created_at":"2022-09-04T14:36:16.756838Z","updated_at":"2022-09-04T14:36:16.756859Z","structure_string":"Pr2 Ir4\n1.0\n4.732039 -0.000000 2.732044\n1.577346 4.461409 2.732044\n0.000000 0.000000 5.464087\nPr Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875001 0.875000 0.874999 Pr\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.500000 0.500000 -0.000001 Ir\n0.500000 0.500000 0.499999 Ir\n","nsites":6,"nelements":2,"elements":["Pr","Ir"],"chemical_system":"Ir-Pr","density":15.124567586178518,"density_atomic":0.05201316608129768,"volume":115.35540810228457,"volume_molar":11.578108416986701,"formula_full":"Pr2 Ir4","formula_reduced":"PrIr2","formula_anonymous":"AB2","energy_above_hull":2.9910706833333327,"spacegroup":227},{"id":"jvasp-69344","created_at":"2022-09-04T14:36:16.755656Z","updated_at":"2022-09-04T14:36:16.755685Z","structure_string":"Ba1 Na2 Re1\n1.0\n4.112836 0.000000 -0.000000\n0.000000 4.112836 -0.000000\n0.000000 0.000000 6.784705\nBa Na Re\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Ba\n0.000000 0.000000 0.806773 Na\n0.000000 0.000000 0.193226 Na\n0.500001 0.500001 0.000000 Re\n","nsites":4,"nelements":3,"elements":["Ba","Na","Re"],"chemical_system":"Ba-Na-Re","density":5.346452327838495,"density_atomic":0.03485348723239994,"volume":114.7661343993603,"volume_molar":17.278445395850643,"formula_full":"Ba1 Na2 Re1","formula_reduced":"BaNa2Re","formula_anonymous":"ABC2","energy_above_hull":1.6207054924999995,"spacegroup":123},{"id":"jvasp-67005","created_at":"2022-09-04T14:36:16.751622Z","updated_at":"2022-09-04T14:36:16.751646Z","structure_string":"Ti1 Be2 Sn1\n1.0\n3.002495 0.000000 0.000000\n0.000000 3.002495 0.000000\n0.000000 0.000000 6.444784\nTi Be Sn\n1 2 1\ndirect\n0.499999 0.499999 0.797105 Ti\n0.000000 0.000000 0.049704 Be\n0.499999 0.499999 0.178603 Be\n0.000000 0.000000 0.474587 Sn\n","nsites":4,"nelements":3,"elements":["Ti","Be","Sn"],"chemical_system":"Be-Sn-Ti","density":5.27607610074253,"density_atomic":0.06884732000165204,"volume":58.099574535421525,"volume_molar":8.747095398710501,"formula_full":"Ti1 Be2 Sn1","formula_reduced":"TiBe2Sn","formula_anonymous":"ABC2","energy_above_hull":2.026193058333334,"spacegroup":99},{"id":"jvasp-66597","created_at":"2022-09-04T14:36:16.749559Z","updated_at":"2022-09-04T14:36:16.749601Z","structure_string":"Ba4 Mo1 Ir1\n1.0\n-0.000000 4.712198 4.712198\n4.712198 0.000000 4.712198\n4.712198 4.712198 -0.000000\nBa Mo Ir\n4 1 1\ndirect\n0.126691 0.624436 0.624436 Ba\n0.624436 0.624436 0.624436 Ba\n0.624436 0.126691 0.624436 Ba\n0.624436 0.624436 0.126691 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Ir\n","nsites":6,"nelements":3,"elements":["Ba","Mo","Ir"],"chemical_system":"Ba-Ir-Mo","density":6.645308933921945,"density_atomic":0.02867151640314033,"volume":209.26692246186298,"volume_molar":21.003914391289076,"formula_full":"Ba4 Mo1 Ir1","formula_reduced":"Ba4MoIr","formula_anonymous":"ABC4","energy_above_hull":2.015630146666666,"spacegroup":216}]}