{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=64","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=62","results":[{"id":"jvasp-118711","created_at":"2022-09-04T14:38:53.862275Z","updated_at":"2022-09-04T14:38:53.862305Z","structure_string":"Mg1 Sn1 O1\n1.0\n2.959416 1.425218 0.000000\n0.413897 6.551588 0.000000\n0.000000 0.000000 3.319157\nMg Sn O\n1 1 1\ndirect\n-0.025589 -0.118665 0.000000 Mg\n-0.061812 0.421160 0.000000 Sn\n0.310627 0.048536 0.000000 O\n","nsites":3,"nelements":3,"elements":["Mg","Sn","O"],"chemical_system":"Mg-O-Sn","density":4.231783590907689,"density_atomic":0.04807941254209283,"volume":62.39676904066877,"volume_molar":12.525404204403918,"formula_full":"Mg1 Sn1 O1","formula_reduced":"MgSnO","formula_anonymous":"ABC","energy_above_hull":0.1787580833333334,"spacegroup":25},{"id":"jvasp-121317","created_at":"2022-09-04T14:38:53.861263Z","updated_at":"2022-09-04T14:38:53.861281Z","structure_string":"Mn4 Ni2 O8\n1.0\n4.945751 -0.292182 -3.054218\n-1.631687 4.645050 -3.104058\n0.175405 0.292182 5.810158\nMn Ni O\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.499999 0.500000 0.499999 Mn\n-0.000001 0.500000 0.499999 Mn\n0.874993 0.124994 0.750000 Ni\n0.125005 0.875006 0.249999 Ni\n0.716800 0.738758 0.978042 O\n0.738750 0.260716 0.021965 O\n0.739285 0.261242 0.478043 O\n0.738749 0.716784 0.478034 O\n0.260714 0.738758 0.521956 O\n0.261249 0.283215 0.521965 O\n0.283199 0.261242 0.021957 O\n0.261248 0.739284 0.978033 O\n","nsites":14,"nelements":3,"elements":["Mn","Ni","O"],"chemical_system":"Mn-Ni-O","density":5.544776986538232,"density_atomic":0.10050432868681831,"volume":139.29748283405206,"volume_molar":5.991921779573895,"formula_full":"Mn4 Ni2 O8","formula_reduced":"Mn2NiO4","formula_anonymous":"AB2C4","energy_above_hull":2.89880441182266,"spacegroup":227},{"id":"jvasp-121120","created_at":"2022-09-04T14:38:53.853150Z","updated_at":"2022-09-04T14:38:53.853182Z","structure_string":"I3 Cl1\n1.0\n5.998539 -0.793936 0.580867\n-1.265024 -4.099222 -0.533583\n-1.828688 -4.457311 -7.112174\nI Cl\n3 1\ndirect\n-0.017693 0.977087 0.042448 I\n0.578878 0.330652 0.256137 I\n0.340166 0.545446 0.840184 I\n0.759092 0.165994 0.593817 Cl\n","nsites":4,"nelements":2,"elements":["I","Cl"],"chemical_system":"Cl-I","density":4.165362099221747,"density_atomic":0.024109967824218276,"volume":165.90648437042006,"volume_molar":24.977805046885237,"formula_full":"I3 Cl1","formula_reduced":"I3Cl","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":1},{"id":"jvasp-120994","created_at":"2022-09-04T14:38:53.852449Z","updated_at":"2022-09-04T14:38:53.852465Z","structure_string":"Tl1 Cu1 F4\n1.0\n3.815387 0.000000 0.000000\n0.000000 3.815387 -0.000000\n-0.000000 0.000000 6.133277\nTl Cu F\n1 1 4\ndirect\n0.500001 0.500001 0.500001 Tl\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.699002 F\n0.000000 0.000000 0.300999 F\n0.500001 0.000000 0.000000 F\n0.000000 0.500001 0.000000 F\n","nsites":6,"nelements":3,"elements":["Tl","Cu","F"],"chemical_system":"Cu-F-Tl","density":6.3964710283738775,"density_atomic":0.06720188881833865,"volume":89.28320476555812,"volume_molar":8.961267110034898,"formula_full":"Tl1 Cu1 F4","formula_reduced":"TlCuF4","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-120867","created_at":"2022-09-04T14:38:53.851262Z","updated_at":"2022-09-04T14:38:53.851289Z","structure_string":"Ba1 Ti1 O2\n1.0\n3.162320 -0.000000 0.000000\n-0.000000 3.162320 -0.000000\n0.000000 0.000000 6.338419\nBa Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.317644 Ba\n0.499999 0.499999 0.808325 Ti\n0.000000 0.000000 0.775122 O\n0.499999 0.499999 0.098910 O\n","nsites":4,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":5.68986480508283,"density_atomic":0.06310552978444972,"volume":63.38588731705202,"volume_molar":9.54296839051965,"formula_full":"Ba1 Ti1 O2","formula_reduced":"BaTiO2","formula_anonymous":"ABC2","energy_above_hull":1.5398128258333337,"spacegroup":99},{"id":"jvasp-121103","created_at":"2022-09-04T14:38:53.851085Z","updated_at":"2022-09-04T14:38:53.851104Z","structure_string":"Rb1 Zn1 H3\n1.0\n3.955386 -0.000000 0.000000\n0.000000 3.955386 -0.000000\n0.000000 0.000000 3.955386\nRb Zn H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Zn\n0.500001 0.000000 0.500001 H\n0.500001 0.500001 0.000000 H\n0.000000 0.500001 0.500001 H\n","nsites":5,"nelements":3,"elements":["Rb","Zn","H"],"chemical_system":"H-Rb-Zn","density":4.129741336776381,"density_atomic":0.08079851673454086,"volume":61.88232410784505,"volume_molar":7.453281326667687,"formula_full":"Rb1 Zn1 H3","formula_reduced":"RbZnH3","formula_anonymous":"ABC3","energy_above_hull":1.0909100799999998,"spacegroup":221},{"id":"jvasp-117899","created_at":"2022-09-04T14:38:53.849097Z","updated_at":"2022-09-04T14:38:53.849132Z","structure_string":"C1 Cl1\n1.0\n3.757480 0.000000 -0.000000\n-1.878740 3.254073 0.000000\n-0.000000 -0.000000 3.004276\nC Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.333333 0.666665 0.000000 Cl\n","nsites":2,"nelements":2,"elements":["C","Cl"],"chemical_system":"C-Cl","density":2.1455907606060496,"density_atomic":0.054446027503925444,"volume":36.73362578850779,"volume_molar":11.060753256177993,"formula_full":"C1 Cl1","formula_reduced":"CCl","formula_anonymous":"AB","energy_above_hull":3.32992703375,"spacegroup":187},{"id":"jvasp-118682","created_at":"2022-09-04T14:38:53.846038Z","updated_at":"2022-09-04T14:38:53.846073Z","structure_string":"Mg1 Cl1\n1.0\n4.508177 0.000000 -0.000000\n-2.254089 3.904196 0.000000\n0.000000 0.000000 3.472529\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Cl\n","nsites":2,"nelements":2,"elements":["Mg","Cl"],"chemical_system":"Cl-Mg","density":1.623553853977901,"density_atomic":0.032722881768045185,"volume":61.119311379019685,"volume_molar":18.403454813936314,"formula_full":"Mg1 Cl1","formula_reduced":"MgCl","formula_anonymous":"AB","energy_above_hull":0.240515,"spacegroup":187},{"id":"jvasp-118006","created_at":"2022-09-04T14:38:53.842471Z","updated_at":"2022-09-04T14:38:53.842506Z","structure_string":"Cd1 O2\n1.0\n3.561356 0.000000 0.000000\n0.000000 3.322274 0.000000\n0.000000 0.000000 4.017938\nCd O\n1 2\ndirect\n0.466664 0.000000 0.000000 Cd\n-0.033332 0.000000 0.679617 O\n-0.033332 0.000000 0.320382 O\n","nsites":3,"nelements":2,"elements":["Cd","O"],"chemical_system":"Cd-O","density":5.044193019948277,"density_atomic":0.06310549643563441,"volume":47.539440610532296,"volume_molar":9.542973433609529,"formula_full":"Cd1 O2","formula_reduced":"CdO2","formula_anonymous":"AB2","energy_above_hull":1.0754417500000004,"spacegroup":47},{"id":"jvasp-120232","created_at":"2022-09-04T14:38:53.840691Z","updated_at":"2022-09-04T14:38:53.840714Z","structure_string":"H1 S2\n1.0\n4.604299 -1.260691 -0.767656\n1.534327 -3.859660 -0.912506\n0.509931 -1.287157 -3.796462\nH S\n1 2\ndirect\n0.988874 0.101653 0.836799 H\n0.508336 0.205056 0.555153 S\n0.813160 0.888639 0.995942 S\n","nsites":3,"nelements":2,"elements":["H","S"],"chemical_system":"H-S","density":1.9556903116647182,"density_atomic":0.05424231566372793,"volume":55.30737328026932,"volume_molar":11.102292898654825,"formula_full":"H1 S2","formula_reduced":"HS2","formula_anonymous":"AB2","energy_above_hull":1.92516,"spacegroup":1},{"id":"jvasp-118058","created_at":"2022-09-04T14:38:53.840305Z","updated_at":"2022-09-04T14:38:53.840323Z","structure_string":"Sn1 H1 Cl2\n1.0\n4.170808 0.000000 -0.000000\n-0.000000 4.170808 0.000000\n-0.000000 0.000000 5.750936\nSn H Cl\n1 1 2\ndirect\n0.500000 0.500000 0.515846 Sn\n0.000000 0.000000 0.032662 H\n0.000000 0.000000 0.519535 Cl\n0.500000 0.500000 -0.058043 Cl\n","nsites":4,"nelements":3,"elements":["Sn","H","Cl"],"chemical_system":"Cl-H-Sn","density":3.1640811169039114,"density_atomic":0.03998352330486551,"volume":100.04120871242101,"volume_molar":15.061556016668442,"formula_full":"Sn1 H1 Cl2","formula_reduced":"SnHCl2","formula_anonymous":"ABC2","energy_above_hull":0.76660245875,"spacegroup":99},{"id":"jvasp-118951","created_at":"2022-09-04T14:38:53.839259Z","updated_at":"2022-09-04T14:38:53.839282Z","structure_string":"Au2 S2\n1.0\n3.716548 -0.081171 -0.293172\n-0.373683 -4.745512 1.402229\n-0.042746 3.461194 -5.737874\nAu S\n2 2\ndirect\n0.221165 0.851535 0.865164 Au\n0.781964 0.341782 0.866594 Au\n0.583839 0.810482 0.365287 S\n0.419303 0.382840 0.366476 S\n","nsites":4,"nelements":2,"elements":["Au","S"],"chemical_system":"Au-S","density":9.079116985153526,"density_atomic":0.04774513899435071,"volume":83.77816222240524,"volume_molar":12.61309713793597,"formula_full":"Au2 S2","formula_reduced":"AuS","formula_anonymous":"AB","energy_above_hull":0.8442287850000001,"spacegroup":10}]}