{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=608","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=606","results":[{"id":"jvasp-114350","created_at":"2022-09-04T14:38:40.555235Z","updated_at":"2022-09-04T14:38:40.555262Z","structure_string":"Mg2 N2\n1.0\n3.448280 -0.007438 -0.496614\n1.123129 -4.602227 -0.154351\n1.291320 0.428399 -3.188162\nMg N\n2 2\ndirect\n0.948118 0.036809 -0.031255 Mg\n0.499884 0.540135 0.694589 Mg\n0.607826 0.090085 0.639655 N\n0.022661 0.742821 0.431706 N\n","nsites":4,"nelements":2,"elements":["Mg","N"],"chemical_system":"Mg-N","density":2.6725816333572316,"density_atomic":0.08401956997068745,"volume":47.60795611540871,"volume_molar":7.167545325572352,"formula_full":"Mg2 N2","formula_reduced":"MgN","formula_anonymous":"AB","energy_above_hull":1.2893661499999998,"spacegroup":8},{"id":"jvasp-16783","created_at":"2022-09-04T14:38:30.793707Z","updated_at":"2022-09-04T14:38:30.793742Z","structure_string":"Sc1 Ir3\n1.0\n3.947296 0.000000 0.000000\n0.000000 3.947296 0.000000\n-0.000000 0.000000 3.947296\nSc Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500001 0.500001 Ir\n0.500001 0.500001 0.000000 Ir\n0.500001 0.000000 0.500001 Ir\n","nsites":4,"nelements":2,"elements":["Sc","Ir"],"chemical_system":"Ir-Sc","density":16.782855252616965,"density_atomic":0.06503706105564792,"volume":61.503394142878996,"volume_molar":9.259552418654422,"formula_full":"Sc1 Ir3","formula_reduced":"ScIr3","formula_anonymous":"AB3","energy_above_hull":3.9433546375,"spacegroup":221},{"id":"jvasp-55158","created_at":"2022-09-04T14:38:30.492931Z","updated_at":"2022-09-04T14:38:30.492950Z","structure_string":"Zr3 Cu1\n1.0\n4.307997 0.000000 0.000000\n0.000000 4.307997 0.000000\n-0.000000 0.000000 4.309166\nZr Cu\n3 1\ndirect\n0.000000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":2,"elements":["Zr","Cu"],"chemical_system":"Cu-Zr","density":7.001898918317061,"density_atomic":0.05001680917147827,"volume":79.97311436414003,"volume_molar":12.04023379291073,"formula_full":"Zr3 Cu1","formula_reduced":"Zr3Cu","formula_anonymous":"AB3","energy_above_hull":3.1267434875,"spacegroup":221},{"id":"jvasp-102931","created_at":"2022-09-04T14:38:40.140615Z","updated_at":"2022-09-04T14:38:40.140635Z","structure_string":"Ga1 Hg3\n1.0\n4.137508 -0.125948 -4.005088\n-0.829676 4.055425 -4.005088\n0.106023 0.125948 5.757470\nGa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.750000 0.250000 0.500000 Hg\n0.249999 0.750001 0.500000 Hg\n0.500000 0.500000 -0.000000 Hg\n","nsites":4,"nelements":2,"elements":["Ga","Hg"],"chemical_system":"Ga-Hg","density":11.118588415905336,"density_atomic":0.039885868961389924,"volume":100.28614404444981,"volume_molar":15.098431892832812,"formula_full":"Ga1 Hg3","formula_reduced":"GaHg3","formula_anonymous":"AB3","energy_above_hull":0.0,"spacegroup":139},{"id":"jvasp-17586","created_at":"2022-09-04T14:38:30.516988Z","updated_at":"2022-09-04T14:38:30.517015Z","structure_string":"Ca2 Pb2\n1.0\n4.563205 0.000000 0.000000\n0.000000 5.065384 0.000000\n0.000000 0.000000 5.065384\nCa Pb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500001 0.000000 0.500000 Pb\n0.500001 0.500000 0.000000 Pb\n","nsites":4,"nelements":2,"elements":["Ca","Pb"],"chemical_system":"Ca-Pb","density":7.014065940362039,"density_atomic":0.03416372860293201,"volume":117.08323896639054,"volume_molar":17.627293642308018,"formula_full":"Ca2 Pb2","formula_reduced":"CaPb","formula_anonymous":"AB","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-116672","created_at":"2022-09-04T14:38:32.868668Z","updated_at":"2022-09-04T14:38:32.868694Z","structure_string":"Mo3 Cl18\n1.0\n10.401797 0.000000 0.000000\n-5.200899 9.008220 0.000000\n-0.000000 -0.000000 5.530763\nMo Cl\n3 18\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.503682 Mo\n0.666667 0.333333 0.496318 Mo\n0.562049 0.437952 0.254692 Cl\n0.437952 0.875903 0.745308 Cl\n0.124097 0.562048 0.745308 Cl\n0.437952 0.562048 0.745308 Cl\n0.771247 0.542495 0.737731 Cl\n0.457505 0.228753 0.737731 Cl\n0.771247 0.228753 0.737731 Cl\n0.228753 0.457505 0.262268 Cl\n0.542495 0.771247 0.262268 Cl\n0.228753 0.771247 0.262268 Cl\n0.895399 0.790796 0.241458 Cl\n0.209204 0.104602 0.241458 Cl\n0.895399 0.104602 0.241458 Cl\n0.104602 0.209204 0.758542 Cl\n0.790796 0.895398 0.758542 Cl\n0.104601 0.895398 0.758542 Cl\n0.875903 0.437952 0.254692 Cl\n0.562049 0.124097 0.254692 Cl\n","nsites":21,"nelements":2,"elements":["Mo","Cl"],"chemical_system":"Cl-Mo","density":2.9669859054189742,"density_atomic":0.04052162825224242,"volume":518.2417613941237,"volume_molar":14.861546832503556,"formula_full":"Mo3 Cl18","formula_reduced":"MoCl6","formula_anonymous":"AB6","energy_above_hull":0.9572529007142856,"spacegroup":164},{"id":"jvasp-30792","created_at":"2022-09-04T14:38:39.040568Z","updated_at":"2022-09-04T14:38:39.040581Z","structure_string":"Bi8 O16\n1.0\n6.303512 0.612026 -2.361428\n0.293490 6.081649 2.354547\n-3.517279 2.296972 12.588674\nBi O\n8 16\ndirect\n0.415909 0.972164 0.387473 Bi\n0.584102 0.527862 0.112527 Bi\n0.583851 0.247254 0.612500 Bi\n0.416128 0.252781 0.887490 Bi\n-0.030541 0.638338 0.467887 Bi\n0.030528 -0.138347 0.032104 Bi\n0.030363 0.074080 0.532134 Bi\n-0.030353 0.425895 -0.032122 Bi\n0.279189 0.913425 -0.022422 O\n0.246713 0.663029 0.438351 O\n0.246976 0.460123 -0.061575 O\n0.278925 0.131397 0.477559 O\n0.753250 -0.163004 0.061622 O\n0.720821 0.586569 0.522434 O\n0.217466 0.015927 0.156827 O\n-0.232263 0.270965 0.843180 O\n-0.217325 0.829552 0.843131 O\n0.217364 0.670427 0.656873 O\n0.753065 0.039854 0.561606 O\n0.232272 0.229037 0.656807 O\n0.232429 0.457486 0.156803 O\n0.767558 0.042509 0.343204 O\n0.782508 0.484042 0.343182 O\n0.721057 0.368640 0.022427 O\n","nsites":24,"nelements":2,"elements":["Bi","O"],"chemical_system":"Bi-O","density":8.22793392443961,"density_atomic":0.06168554332582797,"volume":389.0700917268424,"volume_molar":9.762645241188153,"formula_full":"Bi8 O16","formula_reduced":"BiO2","formula_anonymous":"AB2","energy_above_hull":1.335170433333334,"spacegroup":14},{"id":"jvasp-11110","created_at":"2022-09-04T14:38:32.968493Z","updated_at":"2022-09-04T14:38:32.968520Z","structure_string":"Ca6 N4\n1.0\n1.945429 -3.369582 0.000000\n1.945429 3.369582 0.000000\n0.000000 0.000000 12.768970\nCa N\n6 4\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333333 0.666667 0.412375 Ca\n0.666667 0.333333 0.912375 Ca\n0.666667 0.333333 0.587625 Ca\n0.333333 0.666667 0.087625 Ca\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n","nsites":10,"nelements":2,"elements":["Ca","N"],"chemical_system":"Ca-N","density":2.9409585334058437,"density_atomic":0.059734154742726184,"volume":167.40841220688233,"volume_molar":10.081570227179476,"formula_full":"Ca6 N4","formula_reduced":"Ca3N2","formula_anonymous":"A2B3","energy_above_hull":1.7478655520000002,"spacegroup":194},{"id":"jvasp-17427","created_at":"2022-09-04T14:38:32.879540Z","updated_at":"2022-09-04T14:38:32.879579Z","structure_string":"Al2 Pd1\n1.0\n3.643069 0.000000 2.103326\n1.214357 3.434718 2.103326\n-0.000000 -0.000000 4.206654\nAl Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n","nsites":3,"nelements":2,"elements":["Al","Pd"],"chemical_system":"Al-Pd","density":5.0595554961584535,"density_atomic":0.05699358546431619,"volume":52.63750254628754,"volume_molar":10.566348319620069,"formula_full":"Al2 Pd1","formula_reduced":"Al2Pd","formula_anonymous":"AB2","energy_above_hull":1.271413766666667,"spacegroup":225},{"id":"jvasp-20795","created_at":"2022-09-04T14:38:32.881535Z","updated_at":"2022-09-04T14:38:32.881556Z","structure_string":"Ho10 Sb6\n1.0\n4.461267 -7.727141 -0.000000\n4.461267 7.727141 0.000000\n-0.000000 -0.000000 6.228830\nHo Sb\n10 6\ndirect\n0.333333 0.666667 0.000000 Ho\n0.666667 0.333333 0.500000 Ho\n0.666667 0.333333 0.000000 Ho\n0.333333 0.666667 0.500000 Ho\n0.000000 0.245714 0.250000 Ho\n0.245714 0.245714 0.750000 Ho\n0.754286 0.000000 0.750000 Ho\n0.245714 0.000000 0.250000 Ho\n0.754287 0.754287 0.250000 Ho\n0.000000 0.754286 0.750000 Ho\n0.000000 0.612013 0.250000 Sb\n0.612013 0.612013 0.750000 Sb\n0.387987 0.000000 0.750000 Sb\n0.612013 0.000000 0.250000 Sb\n0.387987 0.387987 0.250000 Sb\n0.000000 0.387987 0.750000 Sb\n","nsites":16,"nelements":2,"elements":["Ho","Sb"],"chemical_system":"Ho-Sb","density":9.202113049133347,"density_atomic":0.03725687768302954,"volume":429.45090933607617,"volume_molar":16.163836409574053,"formula_full":"Ho10 Sb6","formula_reduced":"Ho5Sb3","formula_anonymous":"A3B5","energy_above_hull":1.6100857666666664,"spacegroup":193},{"id":"jvasp-54941","created_at":"2022-09-04T14:38:32.953772Z","updated_at":"2022-09-04T14:38:32.953788Z","structure_string":"Ti4 Ga8\n1.0\n3.876743 0.000000 -0.617051\n-0.098214 3.875499 -0.617051\n0.012063 0.012372 12.562496\nTi Ga\n4 8\ndirect\n0.200747 0.450747 0.901495 Ti\n0.049252 0.299252 0.598505 Ti\n0.950747 0.700748 0.401495 Ti\n0.799252 0.549253 0.098505 Ti\n0.463997 0.213997 0.427995 Ga\n0.536002 0.786002 0.572005 Ga\n0.286002 0.036002 0.072005 Ga\n0.713997 0.963997 0.927996 Ga\n0.125572 0.875572 0.751144 Ga\n0.375572 0.625572 0.251144 Ga\n0.874427 0.124428 0.248857 Ga\n0.624427 0.374427 0.748857 Ga\n","nsites":12,"nelements":2,"elements":["Ti","Ga"],"chemical_system":"Ga-Ti","density":6.5897699153046565,"density_atomic":0.0635586243662085,"volume":188.80207241206284,"volume_molar":9.474938798709626,"formula_full":"Ti4 Ga8","formula_reduced":"TiGa2","formula_anonymous":"AB2","energy_above_hull":0.7355209944444447,"spacegroup":141},{"id":"jvasp-20335","created_at":"2022-09-04T14:38:33.192601Z","updated_at":"2022-09-04T14:38:33.192633Z","structure_string":"U6 P8\n1.0\n6.713090 -0.000000 -2.373436\n-3.356545 5.813707 -2.373436\n-0.000000 -0.000000 7.120307\nU P\n6 8\ndirect\n0.750000 0.875000 0.124999 U\n0.625000 0.375000 0.250000 U\n0.875000 0.125000 0.750000 U\n0.125000 0.750000 0.875000 U\n0.375000 0.250000 0.625000 U\n0.250000 0.625000 0.375000 U\n0.658294 0.658294 0.658293 P\n0.341706 0.500000 -0.000000 P\n0.500000 0.000000 0.341706 P\n-0.000000 0.341706 0.500000 P\n0.500000 0.000000 0.841706 P\n-0.000000 0.841707 0.500000 P\n0.158294 0.158294 0.158294 P\n0.841706 0.500000 -0.000001 P\n","nsites":14,"nelements":2,"elements":["U","P"],"chemical_system":"P-U","density":10.014732164369084,"density_atomic":0.05037948301527433,"volume":277.8909024484313,"volume_molar":11.953558074770585,"formula_full":"U6 P8","formula_reduced":"U3P4","formula_anonymous":"A3B4","energy_above_hull":4.714682857142858,"spacegroup":220}]}