{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3585","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3583","results":[{"id":"jvasp-16157","created_at":"2022-09-04T14:36:32.093348Z","updated_at":"2022-09-04T14:36:32.093373Z","structure_string":"Ba1 Ni2 P2\n1.0\n3.770542 0.000000 -1.194257\n-0.378260 3.751521 -1.194257\n0.012282 0.013582 6.588140\nBa Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.499999 Ni\n0.749999 0.250000 0.499999 Ni\n0.657905 0.657905 0.315811 P\n0.342094 0.342094 0.684187 P\n","nsites":5,"nelements":3,"elements":["Ba","Ni","P"],"chemical_system":"Ba-Ni-P","density":5.635084823715819,"density_atomic":0.05358291563052354,"volume":93.3133246140818,"volume_molar":11.238919512191465,"formula_full":"Ba1 Ni2 P2","formula_reduced":"Ba(NiP)2","formula_anonymous":"AB2C2","energy_above_hull":1.4930343540000004,"spacegroup":139},{"id":"jvasp-92701","created_at":"2022-09-04T14:36:12.241164Z","updated_at":"2022-09-04T14:36:12.241189Z","structure_string":"Er2 Mg2 Ru1\n1.0\n3.366974 -0.000000 -0.000000\n-0.000000 3.366974 -0.000000\n-1.683486 -1.683486 10.214582\nEr Mg Ru\n2 2 1\ndirect\n0.579858 0.579858 0.159718 Er\n0.420139 0.420139 0.840282 Er\n0.798796 0.798796 0.597594 Mg\n0.201202 0.201202 0.402406 Mg\n0.000000 0.000000 0.000000 Ru\n","nsites":5,"nelements":3,"elements":["Er","Mg","Ru"],"chemical_system":"Er-Mg-Ru","density":6.94339646542155,"density_atomic":0.043178731512423754,"volume":115.79775099602816,"volume_molar":13.947007123790236,"formula_full":"Er2 Mg2 Ru1","formula_reduced":"Er2Mg2Ru","formula_anonymous":"AB2C2","energy_above_hull":1.1188737199999998,"spacegroup":139},{"id":"jvasp-88053","created_at":"2022-09-04T14:36:03.261916Z","updated_at":"2022-09-04T14:36:03.261943Z","structure_string":"Sm4 I2 O4\n1.0\n4.041677 -0.000000 0.942096\n1.694119 6.205055 1.872704\n0.124542 0.350004 8.606330\nSm I O\n4 2 4\ndirect\n0.025645 0.742919 0.205792 Sm\n0.651687 0.246901 0.449726 Sm\n0.974356 0.257082 0.794208 Sm\n0.348313 0.753099 0.550274 Sm\n0.688881 0.754066 0.868173 I\n0.311119 0.245935 0.131827 I\n0.469749 0.371604 0.688898 O\n0.156046 0.114786 0.573121 O\n0.530252 0.628396 0.311102 O\n0.843953 0.885215 0.426879 O\n","nsites":10,"nelements":3,"elements":["Sm","I","O"],"chemical_system":"I-O-Sm","density":7.165798226221389,"density_atomic":0.04694436553547042,"volume":213.01810954169054,"volume_molar":12.828250400891596,"formula_full":"Sm4 I2 O4","formula_reduced":"Sm2IO2","formula_anonymous":"AB2C2","energy_above_hull":1.0370322049999996,"spacegroup":12},{"id":"jvasp-105916","created_at":"2022-09-04T14:36:11.534784Z","updated_at":"2022-09-04T14:36:11.534812Z","structure_string":"Pb2 I1 O2\n1.0\n3.902849 -0.007492 -6.358383\n-0.317674 3.889906 -6.358383\n0.006918 0.007492 7.460645\nPb I O\n2 1 2\ndirect\n0.337314 0.337314 0.000001 Pb\n0.662687 0.662688 0.000002 Pb\n0.000000 0.000000 0.000000 I\n0.750001 0.250000 0.500001 O\n0.250001 0.750001 0.500001 O\n","nsites":5,"nelements":3,"elements":["Pb","I","O"],"chemical_system":"I-O-Pb","density":8.378731170448429,"density_atomic":0.04400628877982605,"volume":113.62012427396893,"volume_molar":13.684727630930674,"formula_full":"Pb2 I1 O2","formula_reduced":"Pb2IO2","formula_anonymous":"AB2C2","energy_above_hull":0.8608429829999997,"spacegroup":139},{"id":"jvasp-15441","created_at":"2022-09-04T14:36:19.599608Z","updated_at":"2022-09-04T14:36:19.599633Z","structure_string":"Ca1 Ni2 As2\n1.0\n3.823665 0.000000 -1.448683\n-0.548867 3.784066 -1.448683\n0.008271 0.009557 5.792276\nCa Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.249999 0.750001 0.500001 Ni\n0.749999 0.250001 0.500001 Ni\n0.368862 0.368863 0.737727 As\n0.631136 0.631138 0.262275 As\n","nsites":5,"nelements":3,"elements":["Ca","Ni","As"],"chemical_system":"As-Ca-Ni","density":6.081166028568136,"density_atomic":0.05958458260380979,"volume":83.91432450313589,"volume_molar":10.106877478764027,"formula_full":"Ca1 Ni2 As2","formula_reduced":"Ca(NiAs)2","formula_anonymous":"AB2C2","energy_above_hull":1.2002597439999998,"spacegroup":139},{"id":"jvasp-86521","created_at":"2022-09-04T14:36:16.324129Z","updated_at":"2022-09-04T14:36:16.324150Z","structure_string":"Eu4 I4 O2\n1.0\n5.376028 -0.000000 -2.320453\n-1.450521 6.440485 -3.360569\n0.164325 -0.169802 7.768528\nEu I O\n4 4 2\ndirect\n0.898647 0.568343 0.797291 Eu\n0.601355 0.771052 0.202710 Eu\n0.398646 0.228948 0.797291 Eu\n0.101355 0.431656 0.202710 Eu\n0.140275 0.002183 0.280549 I\n0.640275 0.278366 0.280549 I\n0.359726 0.721634 0.719451 I\n0.859727 0.997817 0.719452 I\n0.750000 0.500000 0.000000 O\n0.250000 0.500000 -0.000000 O\n","nsites":10,"nelements":3,"elements":["Eu","I","O"],"chemical_system":"Eu-I-O","density":7.115208601375171,"density_atomic":0.03734188054834703,"volume":267.79583280635444,"volume_molar":16.12704200101292,"formula_full":"Eu4 I4 O2","formula_reduced":"Eu2I2O","formula_anonymous":"AB2C2","energy_above_hull":0.6461952099999998,"spacegroup":72},{"id":"jvasp-50950","created_at":"2022-09-04T14:36:32.218930Z","updated_at":"2022-09-04T14:36:32.218953Z","structure_string":"Y4 Mg2 Ni4\n1.0\n7.356540 0.000142 0.000000\n0.000141 7.356637 0.000000\n0.000000 0.000000 3.723050\nY Mg Ni\n4 2 4\ndirect\n0.172083 0.672082 0.500000 Y\n0.327925 0.172077 0.500000 Y\n0.672078 0.827919 0.500000 Y\n0.827921 0.327915 0.500000 Y\n0.000003 -0.000003 0.000000 Mg\n0.500001 0.499997 0.000000 Mg\n0.122121 0.377879 0.000000 Ni\n0.377877 0.877872 0.000000 Ni\n0.622130 0.122124 0.000000 Ni\n0.877878 0.622122 0.000000 Ni\n","nsites":10,"nelements":3,"elements":["Y","Mg","Ni"],"chemical_system":"Mg-Ni-Y","density":5.2662675169067,"density_atomic":0.0496304489271441,"volume":201.48921108248845,"volume_molar":12.133963907600975,"formula_full":"Y4 Mg2 Ni4","formula_reduced":"Y2MgNi2","formula_anonymous":"AB2C2","energy_above_hull":1.4099109500000004,"spacegroup":127},{"id":"jvasp-92659","created_at":"2022-09-04T14:36:12.304170Z","updated_at":"2022-09-04T14:36:12.304194Z","structure_string":"Hf2 S1 N2\n1.0\n-0.000000 -3.508239 0.000000\n-4.138633 -0.000000 -0.000000\n2.069317 1.754119 -5.722066\nHf S N\n2 1 2\ndirect\n0.673869 0.173868 0.347738 Hf\n0.326131 0.826130 0.652263 Hf\n0.000000 0.000000 0.000000 S\n0.279258 0.279258 0.558517 N\n0.720742 0.720741 0.441484 N\n","nsites":5,"nelements":3,"elements":["Hf","S","N"],"chemical_system":"Hf-N-S","density":8.335794872478566,"density_atomic":0.06018261481593463,"volume":83.08047125058022,"volume_molar":10.006445845562544,"formula_full":"Hf2 S1 N2","formula_reduced":"Hf2SN2","formula_anonymous":"AB2C2","energy_above_hull":4.556868499999999,"spacegroup":71},{"id":"jvasp-97824","created_at":"2022-09-04T14:36:16.289796Z","updated_at":"2022-09-04T14:36:16.289825Z","structure_string":"S16 N16 Cl8\n1.0\n6.470610 0.000000 0.000000\n0.000000 8.805918 -3.386086\n0.000000 -0.818129 13.193244\nS N Cl\n16 16 8\ndirect\n0.374184 0.046525 0.715468 S\n0.192986 0.326371 0.566731 S\n0.739189 0.637780 0.212247 S\n0.807014 0.673629 0.433268 S\n0.125816 0.046525 0.215468 S\n0.307014 0.326371 0.066731 S\n0.065427 0.733644 0.846964 S\n0.692986 0.673629 0.933268 S\n0.760811 0.637780 0.712247 S\n0.239189 0.362220 0.287753 S\n0.874184 0.953475 0.784531 S\n0.434573 0.733645 0.346964 S\n0.934573 0.266356 0.153035 S\n0.565427 0.266356 0.653035 S\n0.260811 0.362220 0.787753 S\n0.625816 0.953475 0.284531 S\n0.259178 0.200796 0.802295 N\n0.583607 0.748269 0.450616 N\n0.416393 0.251731 0.549383 N\n0.392968 0.352058 0.186385 N\n0.107032 0.352058 0.686385 N\n0.240822 0.200796 0.302295 N\n0.740822 0.799204 0.197705 N\n0.067580 0.896560 0.834087 N\n0.567579 0.103440 0.665913 N\n0.432420 0.896560 0.334087 N\n0.916393 0.748269 0.950616 N\n0.932420 0.103440 0.165913 N\n0.759178 0.799204 0.697704 N\n0.083607 0.251731 0.049383 N\n0.607032 0.647942 0.813615 N\n0.892968 0.647942 0.313615 N\n0.853298 0.050483 0.424263 Cl\n0.353298 0.949517 0.075737 Cl\n0.252128 0.584809 0.588266 Cl\n0.247872 0.584809 0.088266 Cl\n0.146702 0.949517 0.575736 Cl\n0.646702 0.050483 0.924263 Cl\n0.747872 0.415191 0.411733 Cl\n0.752128 0.415191 0.911733 Cl\n","nsites":40,"nelements":3,"elements":["S","N","Cl"],"chemical_system":"Cl-N-S","density":2.3098680624695276,"density_atomic":0.054509181348482746,"volume":733.8213308373855,"volume_molar":11.047938367483162,"formula_full":"S16 N16 Cl8","formula_reduced":"S2N2Cl","formula_anonymous":"AB2C2","energy_above_hull":3.0966421135,"spacegroup":14},{"id":"jvasp-8529","created_at":"2022-09-04T14:36:32.245285Z","updated_at":"2022-09-04T14:36:32.245309Z","structure_string":"U1 Si2 Cu2\n1.0\n3.716803 0.000000 -1.382413\n-0.514169 3.681066 -1.382413\n0.036142 0.041542 5.784941\nU Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.616794 0.616795 0.233589 Si\n0.383205 0.383206 0.766411 Si\n0.249999 0.750000 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n","nsites":5,"nelements":3,"elements":["U","Si","Cu"],"chemical_system":"Cu-Si-U","density":8.791318593283615,"density_atomic":0.06283358022832072,"volume":79.57528413678345,"volume_molar":9.5842712417741,"formula_full":"U1 Si2 Cu2","formula_reduced":"U(CuSi)2","formula_anonymous":"AB2C2","energy_above_hull":2.37555482,"spacegroup":139},{"id":"jvasp-63765","created_at":"2022-09-04T14:36:19.674541Z","updated_at":"2022-09-04T14:36:19.674569Z","structure_string":"Ni1 B2 W2\n1.0\n-1.605109 2.288474 3.557281\n1.605109 -2.288474 3.557281\n1.605109 2.288474 -3.557281\nNi B W\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.701220 0.500000 0.201220 B\n0.298779 0.500000 0.798780 B\n0.700640 0.200641 0.499999 W\n0.299359 0.799359 0.500000 W\n","nsites":5,"nelements":3,"elements":["Ni","B","W"],"chemical_system":"B-Ni-W","density":14.232918927923231,"density_atomic":0.0956624122024941,"volume":52.267132773280004,"volume_molar":6.295200613646027,"formula_full":"Ni1 B2 W2","formula_reduced":"Ni(BW)2","formula_anonymous":"AB2C2","energy_above_hull":5.4117295133333325,"spacegroup":71},{"id":"jvasp-15788","created_at":"2022-09-04T14:36:32.263482Z","updated_at":"2022-09-04T14:36:32.263504Z","structure_string":"Ba1 B2 Rh2\n1.0\n3.731442 0.000000 -1.226402\n-0.403079 3.709608 -1.226402\n0.021194 0.023621 6.354314\nBa B Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.681271 0.681272 0.362542 B\n0.318727 0.318728 0.637457 B\n0.249999 0.750000 0.500000 Rh\n0.749999 0.250000 0.500000 Rh\n","nsites":5,"nelements":3,"elements":["Ba","B","Rh"],"chemical_system":"B-Ba-Rh","density":6.8693676631526355,"density_atomic":0.056706189020168656,"volume":88.17379701220361,"volume_molar":10.619900339023152,"formula_full":"Ba1 B2 Rh2","formula_reduced":"Ba(BRh)2","formula_anonymous":"AB2C2","energy_above_hull":2.9873654273333337,"spacegroup":139}]}