{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=524","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-created_at&page=522","results":[{"id":"jvasp-114148","created_at":"2022-09-04T14:38:39.846954Z","updated_at":"2022-09-04T14:38:39.846978Z","structure_string":"Pb1 C1 O1\n1.0\n4.190419 -0.000000 0.000000\n-2.095209 3.629009 -0.000000\n-0.000000 0.000000 3.219243\nPb C O\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Pb\n0.000000 0.000000 0.000000 C\n0.333334 0.666667 0.000000 O\n","nsites":3,"nelements":3,"elements":["Pb","C","O"],"chemical_system":"C-O-Pb","density":7.97821633781022,"density_atomic":0.06128045753557587,"volume":48.955248061886195,"volume_molar":9.827179825646528,"formula_full":"Pb1 C1 O1","formula_reduced":"PbCO","formula_anonymous":"ABC","energy_above_hull":3.1220481066666665,"spacegroup":187},{"id":"jvasp-110420","created_at":"2022-09-04T14:38:39.841653Z","updated_at":"2022-09-04T14:38:39.841666Z","structure_string":"Ga6 Rh2\n1.0\n5.266233 0.000000 -0.000000\n-2.633117 4.560691 0.000000\n-0.000000 -0.000000 5.319979\nGa Rh\n6 2\ndirect\n0.170038 0.340076 0.250000 Ga\n0.659923 0.829962 0.250000 Ga\n0.170037 0.829962 0.250000 Ga\n0.829961 0.659924 0.750000 Ga\n0.340075 0.170038 0.750000 Ga\n0.829962 0.170038 0.750000 Ga\n0.333332 0.666667 0.750000 Rh\n0.666666 0.333333 0.250000 Rh\n","nsites":8,"nelements":2,"elements":["Ga","Rh"],"chemical_system":"Ga-Rh","density":8.11141720879881,"density_atomic":0.06261081403492258,"volume":127.77345452716557,"volume_molar":9.61837160692563,"formula_full":"Ga6 Rh2","formula_reduced":"Ga3Rh","formula_anonymous":"AB3","energy_above_hull":0.35113249375,"spacegroup":194},{"id":"jvasp-21032","created_at":"2022-09-04T14:38:39.840790Z","updated_at":"2022-09-04T14:38:39.840808Z","structure_string":"Sm4 As8 O18\n1.0\n6.843880 0.013273 0.103011\n-1.919626 7.365816 -0.105372\n-2.269564 -1.659648 9.082657\nSm As O\n4 8 18\ndirect\n0.245937 0.944550 0.621020 Sm\n0.754063 0.055450 0.378981 Sm\n0.725754 0.532181 0.407976 Sm\n0.274246 0.467819 0.592025 Sm\n0.194015 0.643541 0.287934 As\n0.805985 0.356459 0.712067 As\n0.744598 0.920658 0.718453 As\n0.255402 0.079342 0.281548 As\n0.173258 0.762005 0.925833 As\n0.323598 0.239007 0.944504 As\n0.676402 0.760993 0.055497 As\n0.826742 0.237995 0.074168 As\n0.158409 0.130368 0.439546 O\n0.906548 0.332086 0.551534 O\n0.093452 0.667914 0.448467 O\n0.624200 0.464579 0.629825 O\n0.375800 0.535421 0.370176 O\n0.510819 0.225641 0.323182 O\n0.489181 0.774359 0.676818 O\n0.841591 0.869632 0.560454 O\n0.313574 0.989235 0.889003 O\n0.118476 0.662107 0.740072 O\n0.389915 0.671844 0.008434 O\n0.610085 0.328156 0.991566 O\n0.686427 0.010765 0.110998 O\n0.371942 0.895273 0.352158 O\n0.266058 0.254831 0.757107 O\n0.733943 0.745169 0.242894 O\n0.881524 0.337893 0.259928 O\n0.628058 0.104727 0.647842 O\n","nsites":30,"nelements":3,"elements":["Sm","As","O"],"chemical_system":"As-O-Sm","density":5.3866546677170595,"density_atomic":0.06536636700994514,"volume":458.95161949930093,"volume_molar":9.212904182182502,"formula_full":"Sm4 As8 O18","formula_reduced":"Sm2As4O9","formula_anonymous":"A2B4C9","energy_above_hull":2.67171975,"spacegroup":2},{"id":"jvasp-100507","created_at":"2022-09-04T14:38:39.840397Z","updated_at":"2022-09-04T14:38:39.840418Z","structure_string":"Tb1 Lu1 In2\n1.0\n4.550631 -0.000000 2.627308\n1.516877 4.290375 2.627308\n-0.000000 0.000000 5.254616\nTb Lu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500001 0.500001 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750001 0.750001 In\n","nsites":4,"nelements":3,"elements":["Tb","Lu","In"],"chemical_system":"In-Lu-Tb","density":9.121305644125725,"density_atomic":0.038989901056718894,"volume":102.59066813688936,"volume_molar":15.445386104569867,"formula_full":"Tb1 Lu1 In2","formula_reduced":"TbLuIn2","formula_anonymous":"ABC2","energy_above_hull":0.3362110224999999,"spacegroup":225},{"id":"jvasp-99906","created_at":"2022-09-04T14:38:39.835528Z","updated_at":"2022-09-04T14:38:39.835553Z","structure_string":"U2 Cr2 Co2\n1.0\n4.404317 0.002897 -2.551479\n-1.132132 3.855703 -3.124084\n-0.001295 -0.002897 5.089996\nU Cr Co\n2 2 2\ndirect\n0.392148 0.142147 0.250000 U\n0.607854 0.857852 0.750001 U\n0.000000 0.500000 0.000000 Cr\n0.000000 -0.000000 0.500000 Cr\n0.500001 0.500000 0.000001 Co\n0.000001 0.499999 0.500001 Co\n","nsites":6,"nelements":3,"elements":["U","Cr","Co"],"chemical_system":"Co-Cr-U","density":13.414527438355561,"density_atomic":0.06945029920466551,"volume":86.39271635559683,"volume_molar":8.671151642202638,"formula_full":"U2 Cr2 Co2","formula_reduced":"UCrCo","formula_anonymous":"ABC","energy_above_hull":4.127261433333333,"spacegroup":74},{"id":"jvasp-110419","created_at":"2022-09-04T14:38:39.834851Z","updated_at":"2022-09-04T14:38:39.834870Z","structure_string":"Er1 Lu1 Pd2\n1.0\n4.211554 -0.000000 2.431542\n1.403851 3.970691 2.431542\n0.000000 0.000000 4.863084\nEr Lu Pd\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750000 0.749999 Pd\n","nsites":4,"nelements":3,"elements":["Er","Lu","Pd"],"chemical_system":"Er-Lu-Pd","density":11.33374630439795,"density_atomic":0.04918580176541253,"volume":81.32428173231082,"volume_molar":12.243656794946812,"formula_full":"Er1 Lu1 Pd2","formula_reduced":"ErLuPd2","formula_anonymous":"ABC2","energy_above_hull":1.2586042875000003,"spacegroup":225},{"id":"jvasp-115898","created_at":"2022-09-04T14:38:39.823439Z","updated_at":"2022-09-04T14:38:39.823472Z","structure_string":"P2 Cl1\n1.0\n5.243183 -0.997187 0.197670\n2.232619 -2.586706 -0.151246\n2.004435 -1.861430 -5.942931\nP Cl\n2 1\ndirect\n0.418462 0.786118 0.324720 P\n0.823722 0.657605 0.452969 P\n0.357237 0.144251 0.968517 Cl\n","nsites":3,"nelements":2,"elements":["P","Cl"],"chemical_system":"Cl-P","density":2.435802337247365,"density_atomic":0.04518069495245167,"volume":66.40004106083829,"volume_molar":13.32901312460493,"formula_full":"P2 Cl1","formula_reduced":"P2Cl","formula_anonymous":"AB2","energy_above_hull":1.7588383558333334,"spacegroup":8},{"id":"jvasp-110508","created_at":"2022-09-04T14:38:39.823021Z","updated_at":"2022-09-04T14:38:39.823043Z","structure_string":"V1 Ag4 O4\n1.0\n5.924475 -0.135402 -0.831762\n-4.490838 3.866536 -0.831762\n0.052026 0.135402 5.982350\nV Ag O\n1 4 4\ndirect\n0.000000 0.000000 0.000000 V\n0.567668 0.833839 0.409414 Ag\n0.424424 0.158254 0.590587 Ag\n0.841746 0.432333 0.266171 Ag\n0.166162 0.575576 0.733830 Ag\n0.371002 0.326711 0.259537 O\n0.067174 0.111465 0.740463 O\n0.888535 0.628999 0.955709 O\n0.673290 0.932828 0.044292 O\n","nsites":9,"nelements":3,"elements":["V","Ag","O"],"chemical_system":"Ag-O-V","density":6.733625966264587,"density_atomic":0.06679166223730645,"volume":134.74735765706177,"volume_molar":9.016306164987665,"formula_full":"V1 Ag4 O4","formula_reduced":"V(AgO)4","formula_anonymous":"AB4C4","energy_above_hull":1.5807819155555554,"spacegroup":82},{"id":"jvasp-112372","created_at":"2022-09-04T14:38:39.819363Z","updated_at":"2022-09-04T14:38:39.819382Z","structure_string":"Cu3 Ag3 P2 S8\n1.0\n6.310778 0.021687 0.030379\n0.031911 6.410882 0.046539\n0.016981 0.018002 7.720680\nCu Ag P S\n3 3 2 8\ndirect\n0.509241 0.681977 0.748974 Cu\n0.502968 0.701092 0.254774 Cu\n0.016563 0.325452 0.751546 Cu\n0.023803 0.310646 0.242925 Ag\n0.011265 0.842525 0.501367 Ag\n0.494419 0.137038 0.996406 Ag\n0.506737 0.187857 0.505361 P\n0.993422 0.813729 0.995622 P\n0.409454 0.871894 0.504701 S\n0.898388 0.124185 0.980170 S\n0.833719 0.203291 0.517474 S\n0.326908 0.775042 0.999465 S\n0.873055 0.655937 0.779329 S\n0.866449 0.682682 0.220997 S\n0.376043 0.342666 0.721882 S\n0.413567 0.343985 0.279008 S\n","nsites":16,"nelements":4,"elements":["Cu","Ag","P","S"],"chemical_system":"Ag-Cu-P-S","density":4.4269644450848675,"density_atomic":0.05122513060649071,"volume":312.3466901999982,"volume_molar":11.756223339403135,"formula_full":"Cu3 Ag3 P2 S8","formula_reduced":"Cu3Ag3(PS4)2","formula_anonymous":"A2B3C3D8","energy_above_hull":1.467070258125,"spacegroup":1},{"id":"jvasp-110343","created_at":"2022-09-04T14:38:39.818038Z","updated_at":"2022-09-04T14:38:39.818061Z","structure_string":"K3 Tl1 I6\n1.0\n7.627927 -0.000000 4.403986\n2.542642 7.191679 4.403986\n-0.000000 -0.000000 8.807971\nK Tl I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n0.760631 0.239370 0.239370 I\n0.239370 0.239370 0.760630 I\n0.239369 0.760631 0.760631 I\n0.239369 0.760631 0.239370 I\n0.760631 0.239370 0.760631 I\n0.760630 0.760631 0.239370 I\n","nsites":10,"nelements":3,"elements":["K","Tl","I"],"chemical_system":"I-K-Tl","density":3.7222622469717033,"density_atomic":0.020696042203408833,"volume":483.18417123989565,"volume_molar":29.098030922105952,"formula_full":"K3 Tl1 I6","formula_reduced":"K3TlI6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-114174","created_at":"2022-09-04T14:38:39.811140Z","updated_at":"2022-09-04T14:38:39.811148Z","structure_string":"Ca3 O1\n1.0\n5.566674 -0.508059 1.337729\n-0.216573 -3.714896 -0.507820\n-1.266380 -0.607401 -6.265405\nCa O\n3 1\ndirect\n0.020487 0.247336 0.849380 Ca\n0.423480 0.895715 0.541463 Ca\n0.712412 0.546086 0.224260 Ca\n0.645164 0.394330 0.544094 O\n","nsites":4,"nelements":2,"elements":["Ca","O"],"chemical_system":"Ca-O","density":1.8528350553485722,"density_atomic":0.032761521072592975,"volume":122.09445315853316,"volume_molar":18.381749573397833,"formula_full":"Ca3 O1","formula_reduced":"Ca3O","formula_anonymous":"AB3","energy_above_hull":0.39902271,"spacegroup":1},{"id":"jvasp-100342","created_at":"2022-09-04T14:38:39.810933Z","updated_at":"2022-09-04T14:38:39.810940Z","structure_string":"Ta2 Co2 Ni4\n1.0\n5.156678 0.007556 0.000000\n-2.512705 4.503076 0.000000\n0.000000 0.000000 4.193168\nTa Co Ni\n2 2 4\ndirect\n0.337868 0.662133 0.000000 Ta\n0.661645 0.338356 0.500000 Ta\n0.843288 0.679079 0.000000 Co\n0.320923 0.156713 0.000000 Co\n0.838962 0.161040 0.000000 Ni\n0.156753 0.320495 0.500000 Ni\n0.679505 0.843248 0.500000 Ni\n0.160819 0.839181 0.500000 Ni\n","nsites":8,"nelements":3,"elements":["Ta","Co","Ni"],"chemical_system":"Co-Ni-Ta","density":12.175773539868448,"density_atomic":0.08209439165982729,"volume":97.44880056057205,"volume_molar":7.335629923361648,"formula_full":"Ta2 Co2 Ni4","formula_reduced":"TaCoNi2","formula_anonymous":"ABC2","energy_above_hull":2.9253312250000008,"spacegroup":38}]}