{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=3435","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=3433","results":[{"id":"jvasp-15403","created_at":"2022-09-04T14:36:36.986031Z","updated_at":"2022-09-04T14:36:36.986050Z","structure_string":"Sc1 Ni2 Sn1\n1.0\n3.831426 0.000000 2.212075\n1.277142 3.612304 2.212075\n0.000000 0.000000 4.424150\nSc Ni Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250001 Ni\n0.750001 0.749999 0.750002 Ni\n0.500000 0.499999 0.500001 Sn\n","nsites":4,"nelements":3,"elements":["Sc","Ni","Sn"],"chemical_system":"Ni-Sc-Sn","density":7.621883398508753,"density_atomic":0.06532590185144907,"volume":61.23145470070952,"volume_molar":9.21861097868091,"formula_full":"Sc1 Ni2 Sn1","formula_reduced":"ScNi2Sn","formula_anonymous":"ABC2","energy_above_hull":1.1285854375,"spacegroup":225},{"id":"jvasp-63053","created_at":"2022-09-04T14:36:18.444483Z","updated_at":"2022-09-04T14:36:18.444499Z","structure_string":"Sc1 Ni4 Au1\n1.0\n0.000000 3.409932 3.409932\n3.409932 -0.000000 3.409932\n3.409932 3.409932 -0.000000\nSc Ni Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.375166 0.375166 0.375166 Ni\n0.375166 0.375166 0.874499 Ni\n0.874499 0.375166 0.375166 Ni\n0.375166 0.874499 0.375166 Ni\n0.750000 0.750000 0.750000 Au\n","nsites":6,"nelements":3,"elements":["Sc","Ni","Au"],"chemical_system":"Au-Ni-Sc","density":9.982137041734347,"density_atomic":0.07566309449694211,"volume":79.2988978298064,"volume_molar":7.959152080732545,"formula_full":"Sc1 Ni4 Au1","formula_reduced":"ScNi4Au","formula_anonymous":"ABC4","energy_above_hull":1.2546854033333332,"spacegroup":216},{"id":"jvasp-16659","created_at":"2022-09-04T14:38:31.571171Z","updated_at":"2022-09-04T14:38:31.571187Z","structure_string":"Sc1 Ni4 Sn1\n1.0\n4.229815 0.000000 2.442085\n1.409938 3.987907 2.442085\n-0.000000 -0.000000 4.884169\nSc Ni Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.625123 0.625124 0.625123 Ni\n0.625123 0.625124 0.124627 Ni\n0.124628 0.625124 0.625123 Ni\n0.625123 0.124628 0.625123 Ni\n0.250000 0.250000 0.250000 Sn\n","nsites":6,"nelements":3,"elements":["Sc","Ni","Sn"],"chemical_system":"Ni-Sc-Sn","density":8.030718804932865,"density_atomic":0.07282729389147172,"volume":82.3866943201444,"volume_molar":8.269071165783368,"formula_full":"Sc1 Ni4 Sn1","formula_reduced":"ScNi4Sn","formula_anonymous":"ABC4","energy_above_hull":1.2555160916666666,"spacegroup":216},{"id":"jvasp-56570","created_at":"2022-09-04T14:38:35.671345Z","updated_at":"2022-09-04T14:38:35.671373Z","structure_string":"Sc1 Ni5\n1.0\n2.363998 -4.094565 0.000000\n2.363998 4.094565 -0.000000\n0.000000 -0.000000 3.968245\nSc Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500001 Ni\n0.333334 0.666667 0.000000 Ni\n0.500000 0.000000 0.500001 Ni\n0.666667 0.333334 0.000000 Ni\n0.500000 0.500000 0.500001 Ni\n","nsites":6,"nelements":2,"elements":["Sc","Ni"],"chemical_system":"Ni-Sc","density":7.315188263364879,"density_atomic":0.07810303356134539,"volume":76.82159996112506,"volume_molar":7.71050813957176,"formula_full":"Sc1 Ni5","formula_reduced":"ScNi5","formula_anonymous":"AB5","energy_above_hull":1.3871995416666667,"spacegroup":191},{"id":"jvasp-53963","created_at":"2022-09-04T14:36:11.933371Z","updated_at":"2022-09-04T14:36:11.933380Z","structure_string":"Sc1 O1\n1.0\n2.230824 2.230824 -0.000000\n-0.000000 2.230824 2.230824\n2.230824 -0.000000 2.230824\nSc O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499999 0.499999 0.499999 O\n","nsites":2,"nelements":2,"elements":["Sc","O"],"chemical_system":"O-Sc","density":4.558634111475045,"density_atomic":0.09007495951173977,"volume":22.20372910341784,"volume_molar":6.685699102884542,"formula_full":"Sc1 O1","formula_reduced":"ScO","formula_anonymous":"AB","energy_above_hull":0.0846993749999995,"spacegroup":225},{"id":"jvasp-120170","created_at":"2022-09-04T14:38:51.087941Z","updated_at":"2022-09-04T14:38:51.087961Z","structure_string":"Sc1 O1 F1\n1.0\n0.000000 2.534096 2.534096\n2.534096 0.000000 2.534096\n2.534096 2.534096 0.000000\nSc O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750003 0.750003 0.750003 O\n0.250001 0.250001 0.250001 F\n","nsites":3,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":4.0793273817274525,"density_atomic":0.09217689376631201,"volume":32.546117333977826,"volume_molar":6.53324332588968,"formula_full":"Sc1 O1 F1","formula_reduced":"ScOF","formula_anonymous":"ABC","energy_above_hull":0.1510263441666666,"spacegroup":216},{"id":"jvasp-120165","created_at":"2022-09-04T14:38:53.107342Z","updated_at":"2022-09-04T14:38:53.107368Z","structure_string":"Sc1 O1 F1\n1.0\n3.771655 -0.000000 -0.000000\n-1.885828 3.266349 0.000000\n-0.000000 -0.000000 4.262725\nSc O F\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sc\n0.333334 0.666667 0.000000 O\n0.000000 0.000000 0.000000 F\n","nsites":3,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":2.5281677328811294,"density_atomic":0.05712673358383853,"volume":52.514817700844645,"volume_molar":10.541720806007534,"formula_full":"Sc1 O1 F1","formula_reduced":"ScOF","formula_anonymous":"ABC","energy_above_hull":0.5615863441666666,"spacegroup":187},{"id":"jvasp-120166","created_at":"2022-09-04T14:38:44.807140Z","updated_at":"2022-09-04T14:38:44.807170Z","structure_string":"Sc1 O1 F1\n1.0\n5.945106 -0.000000 0.000000\n0.000000 5.945106 -0.000000\n0.000000 0.000000 8.513698\nSc O F\n1 1 1\ndirect\n0.000000 0.000000 -0.001841 Sc\n0.000000 0.000000 0.796462 O\n0.000000 0.000000 0.230873 F\n","nsites":3,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":0.441215032575397,"density_atomic":0.009969739464396705,"volume":300.91057150624727,"volume_molar":60.40419392608888,"formula_full":"Sc1 O1 F1","formula_reduced":"ScOF","formula_anonymous":"ABC","energy_above_hull":0.8884963441666667,"spacegroup":99},{"id":"jvasp-120164","created_at":"2022-09-04T14:38:52.209710Z","updated_at":"2022-09-04T14:38:52.209738Z","structure_string":"Sc1 O1 F1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nSc O F\n1 1 1\ndirect\n-0.003980 0.319857 0.000000 Sc\n0.259322 -0.005323 0.000000 O\n-0.083470 -0.088517 0.000000 F\n","nsites":3,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":0.664475338762761,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"Sc1 O1 F1","formula_reduced":"ScOF","formula_anonymous":"ABC","energy_above_hull":1.6108496775,"spacegroup":6},{"id":"jvasp-120171","created_at":"2022-09-04T14:38:44.903308Z","updated_at":"2022-09-04T14:38:44.903325Z","structure_string":"Sc1 O1 F4\n1.0\n-2.524125 2.524124 2.382037\n2.524125 -2.524124 2.382037\n2.524124 2.524125 -2.382037\nSc O F\n1 1 4\ndirect\n-0.106526 -0.106526 -0.000000 Sc\n0.393451 0.393451 0.000000 O\n0.962523 0.462558 0.138090 F\n0.824433 0.962523 0.499966 F\n0.462557 0.324467 0.500034 F\n0.324467 0.824433 0.861909 F\n","nsites":6,"nelements":3,"elements":["Sc","O","F"],"chemical_system":"F-O-Sc","density":3.7460855005380047,"density_atomic":0.09883737703224811,"volume":60.70577933328151,"volume_molar":6.092979134842004,"formula_full":"Sc1 O1 F4","formula_reduced":"ScOF4","formula_anonymous":"ABC4","energy_above_hull":0.4525949800000002,"spacegroup":97},{"id":"jvasp-37644","created_at":"2022-09-04T14:37:55.718275Z","updated_at":"2022-09-04T14:37:55.718310Z","structure_string":"Sc1 Os3\n1.0\n3.959105 0.000000 0.000000\n0.000000 3.959105 0.000000\n-0.000000 -0.000000 3.959105\nSc Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500001 0.500001 Os\n0.500001 0.000000 0.500001 Os\n0.500001 0.500001 0.000000 Os\n","nsites":4,"nelements":2,"elements":["Sc","Os"],"chemical_system":"Os-Sc","density":16.47361977236683,"density_atomic":0.06445682831412734,"volume":62.057040419460094,"volume_molar":9.342905813874953,"formula_full":"Sc1 Os3","formula_reduced":"ScOs3","formula_anonymous":"AB3","energy_above_hull":5.1217775625,"spacegroup":221},{"id":"jvasp-36388","created_at":"2022-09-04T14:37:28.435486Z","updated_at":"2022-09-04T14:37:28.435504Z","structure_string":"Sc1 P1\n1.0\n2.959417 2.959417 0.000000\n2.959417 0.000000 -2.959417\n0.000000 2.959417 -2.959417\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750001 0.750001 0.750001 P\n","nsites":2,"nelements":2,"elements":["Sc","P"],"chemical_system":"P-Sc","density":2.4322720228828203,"density_atomic":0.03858171310855922,"volume":51.83802995923234,"volume_molar":15.60879565677971,"formula_full":"Sc1 P1","formula_reduced":"ScP","formula_anonymous":"AB","energy_above_hull":1.3281853750000003,"spacegroup":216}]}