{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3419","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3417","results":[{"id":"jvasp-49947","created_at":"2022-09-04T14:36:48.835241Z","updated_at":"2022-09-04T14:36:48.835268Z","structure_string":"Na4 Ir2 O6\n1.0\n5.501519 -0.000626 -0.000098\n-2.740281 4.770483 0.000035\n-0.934253 -1.613788 5.253253\nNa Ir O\n4 2 6\ndirect\n0.500255 0.000143 0.500157 Na\n0.840995 0.659427 0.500158 Na\n0.159510 0.340917 0.500161 Na\n0.000234 0.500169 0.000153 Na\n0.667238 0.833166 0.000162 Ir\n0.333241 0.167181 0.000170 Ir\n0.564114 0.430289 0.792971 O\n0.436358 0.570054 0.207362 O\n0.706464 0.206402 0.208956 O\n0.930359 0.064044 0.792972 O\n0.070122 0.936293 0.207355 O\n0.294021 0.793952 0.791375 O\n","nsites":12,"nelements":3,"elements":["Na","Ir","O"],"chemical_system":"Ir-Na-O","density":6.894417847516769,"density_atomic":0.08704385334109685,"volume":137.8615438010983,"volume_molar":6.918513518009329,"formula_full":"Na4 Ir2 O6","formula_reduced":"Na2IrO3","formula_anonymous":"AB2C3","energy_above_hull":1.6992999333333332,"spacegroup":12},{"id":"jvasp-15138","created_at":"2022-09-04T14:36:41.240591Z","updated_at":"2022-09-04T14:36:41.240612Z","structure_string":"Dy1 B2 Ru3\n1.0\n2.749910 -4.762982 -0.000000\n2.749910 4.762982 -0.000000\n-0.000000 0.000000 3.036269\nDy B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n","nsites":6,"nelements":3,"elements":["Dy","B","Ru"],"chemical_system":"B-Dy-Ru","density":10.174342784949252,"density_atomic":0.07543685751721067,"volume":79.53671716284204,"volume_molar":7.983021772382377,"formula_full":"Dy1 B2 Ru3","formula_reduced":"DyB2Ru3","formula_anonymous":"AB2C3","energy_above_hull":4.335967194444446,"spacegroup":191},{"id":"jvasp-48632","created_at":"2022-09-04T14:37:00.976979Z","updated_at":"2022-09-04T14:37:00.977001Z","structure_string":"Co8 O12 F4\n1.0\n4.368350 -0.111038 0.000000\n-0.111038 4.368350 -0.000000\n-0.000000 0.000000 11.602261\nCo O F\n8 12 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.989535 0.010464 0.250000 Co\n0.000000 0.000000 0.500000 Co\n0.010464 0.989535 0.750000 Co\n0.526266 0.473734 0.125211 Co\n0.473734 0.526266 0.625211 Co\n0.526266 0.473734 0.374789 Co\n0.473734 0.526266 0.874789 Co\n0.813575 0.186425 0.374728 O\n0.813575 0.186425 0.125271 O\n0.681327 0.711558 0.750000 O\n0.695746 0.695746 0.500000 O\n0.711558 0.681327 0.250000 O\n0.695746 0.695746 0.000000 O\n0.318672 0.288442 0.250000 O\n0.288442 0.318672 0.750000 O\n0.304253 0.304253 0.000000 O\n0.186425 0.813575 0.874728 O\n0.186425 0.813575 0.625271 O\n0.304253 0.304253 0.500000 O\n0.787152 0.212847 0.628721 F\n0.212847 0.787152 0.128721 F\n0.212847 0.787152 0.371279 F\n0.787152 0.212847 0.871279 F\n","nsites":24,"nelements":3,"elements":["Co","O","F"],"chemical_system":"Co-F-O","density":5.549607613734295,"density_atomic":0.10847120122544371,"volume":221.25688412096616,"volume_molar":5.551833751231113,"formula_full":"Co8 O12 F4","formula_reduced":"Co2O3F","formula_anonymous":"AB2C3","energy_above_hull":2.309327097083333,"spacegroup":63},{"id":"jvasp-15107","created_at":"2022-09-04T14:36:41.478297Z","updated_at":"2022-09-04T14:36:41.478323Z","structure_string":"Sm1 B2 Rh3\n1.0\n2.721942 -4.714541 -0.000000\n2.721942 4.714541 0.000000\n-0.000000 0.000000 3.156447\nSm B Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.500000 0.500001 Rh\n0.500000 -0.000000 0.500001 Rh\n-0.000000 0.500000 0.500001 Rh\n","nsites":6,"nelements":3,"elements":["Sm","B","Rh"],"chemical_system":"B-Rh-Sm","density":9.85314975272078,"density_atomic":0.07406354056950379,"volume":81.01152002542186,"volume_molar":8.131046279577488,"formula_full":"Sm1 B2 Rh3","formula_reduced":"SmB2Rh3","formula_anonymous":"AB2C3","energy_above_hull":3.4300638402777777,"spacegroup":191},{"id":"jvasp-103069","created_at":"2022-09-04T14:36:41.648632Z","updated_at":"2022-09-04T14:36:41.648650Z","structure_string":"Mn1 Hg2 S3\n1.0\n4.133577 0.000000 0.000000\n-2.066789 3.579783 0.000000\n-0.000000 -0.000000 10.095220\nMn Hg S\n1 2 3\ndirect\n0.333333 0.666666 0.662339 Mn\n0.000000 0.000000 0.995618 Hg\n0.666667 0.333333 0.345166 Hg\n0.000000 0.000000 0.248674 S\n0.666667 0.333333 0.600566 S\n0.333333 0.666666 0.897638 S\n","nsites":6,"nelements":3,"elements":["Mn","Hg","S"],"chemical_system":"Hg-Mn-S","density":6.139540622901553,"density_atomic":0.04016545853516284,"volume":149.38208646982835,"volume_molar":14.993332529063297,"formula_full":"Mn1 Hg2 S3","formula_reduced":"MnHg2S3","formula_anonymous":"AB2C3","energy_above_hull":1.186327740229885,"spacegroup":156},{"id":"jvasp-107277","created_at":"2022-09-04T14:37:00.880654Z","updated_at":"2022-09-04T14:37:00.880677Z","structure_string":"U3 As2 Se1\n1.0\n4.996173 -0.000000 0.000000\n-2.498086 4.326812 0.000000\n0.000000 0.000000 6.115359\nU As Se\n3 2 1\ndirect\n0.000000 0.000000 0.500000 U\n0.666666 0.333333 0.828407 U\n0.333332 0.666666 0.171593 U\n0.666666 0.333333 0.329519 As\n0.333332 0.666666 0.670481 As\n0.000000 0.000000 0.000000 Se\n","nsites":6,"nelements":3,"elements":["U","As","Se"],"chemical_system":"As-Se-U","density":11.843570353267191,"density_atomic":0.045386197597625764,"volume":132.198781074224,"volume_molar":13.26866113215668,"formula_full":"U3 As2 Se1","formula_reduced":"U3As2Se","formula_anonymous":"AB2C3","energy_above_hull":4.303757477777778,"spacegroup":164},{"id":"jvasp-103760","created_at":"2022-09-04T14:37:01.004940Z","updated_at":"2022-09-04T14:37:01.004964Z","structure_string":"H24 C16 O8\n1.0\n10.598230 0.000000 0.170273\n0.000000 6.789891 0.000000\n0.090469 0.000000 5.290878\nH C O\n24 16 8\ndirect\n0.572633 0.915830 0.723267 H\n0.993072 0.501160 0.790729 H\n0.993072 -0.001160 0.290728 H\n0.006928 0.001160 0.709271 H\n0.051320 0.698792 0.401524 H\n0.948680 0.301208 0.598476 H\n0.948680 0.198792 0.098476 H\n0.051320 0.801208 0.901524 H\n0.175107 0.289635 0.401997 H\n0.824893 0.710365 0.598003 H\n0.824893 0.789635 0.098003 H\n0.175107 0.210365 0.901997 H\n0.006928 0.498840 0.209271 H\n0.785016 0.512732 0.397318 H\n0.214984 0.487268 0.602681 H\n0.427367 0.415830 0.776733 H\n0.572633 0.584169 0.223267 H\n0.460433 0.783246 0.540894 H\n0.427367 0.084170 0.276732 H\n0.539567 0.283246 0.959106 H\n0.460433 0.716754 0.040894 H\n0.214984 0.012732 0.102681 H\n0.785016 0.987267 0.897319 H\n0.539567 0.216754 0.459106 H\n0.044657 0.537342 0.394193 C\n0.955343 0.462658 0.605807 C\n0.955343 0.037342 0.105807 C\n0.044657 0.962658 0.894193 C\n0.177188 0.451971 0.417152 C\n0.822812 0.548029 0.582848 C\n0.822812 0.951971 0.082848 C\n0.177188 0.048029 0.917152 C\n0.730983 0.474009 0.784086 C\n0.730983 0.025990 0.284086 C\n0.269017 0.974009 0.715914 C\n0.488933 0.571763 0.108970 C\n0.511067 0.428237 0.891030 C\n0.511067 0.071763 0.391030 C\n0.488933 0.928237 0.608970 C\n0.269017 0.525990 0.215914 C\n0.758174 0.399929 -0.014043 O\n0.390736 0.003149 0.783706 O\n0.609264 0.996851 0.216294 O\n0.609264 0.503149 0.716294 O\n0.390736 0.496851 0.283706 O\n0.241826 0.899928 0.514042 O\n0.758174 0.100071 0.485957 O\n0.241826 0.600071 0.014042 O\n","nsites":48,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.502288686586693,"density_atomic":0.1261062674393274,"volume":380.63135936597195,"volume_molar":4.775449216191723,"formula_full":"H24 C16 O8","formula_reduced":"H3C2O","formula_anonymous":"AB2C3","energy_above_hull":4.037075583333333,"spacegroup":14},{"id":"jvasp-103764","created_at":"2022-09-04T14:37:01.020292Z","updated_at":"2022-09-04T14:37:01.020319Z","structure_string":"H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n","nsites":12,"nelements":3,"elements":["H","C","F"],"chemical_system":"C-F-H","density":1.709353727037275,"density_atomic":0.13414194680152533,"volume":89.45747609996329,"volume_molar":4.489379275902623,"formula_full":"H6 C4 F2","formula_reduced":"H3C2F","formula_anonymous":"AB2C3","energy_above_hull":3.5506500470833333,"spacegroup":8},{"id":"jvasp-28896","created_at":"2022-09-04T14:37:01.664106Z","updated_at":"2022-09-04T14:37:01.664117Z","structure_string":"Te2 W4 Se6\n1.0\n3.384865 -0.000002 -0.000000\n-1.692433 2.931376 -0.000011\n-0.000010 -0.000153 36.411944\nTe W Se\n2 4 6\ndirect\n0.666707 0.333405 0.416505 Te\n0.666643 0.333285 0.520505 Te\n0.333322 0.666645 0.097401 W\n0.333342 0.666677 0.468507 W\n0.666662 0.333325 0.277731 W\n0.666676 0.333359 0.659278 W\n0.333337 0.666668 0.323393 Se\n0.333358 0.666721 0.704864 Se\n0.666628 0.333261 0.051809 Se\n0.666678 0.333356 0.143045 Se\n0.333322 0.666646 0.232094 Se\n0.333329 0.666668 0.613613 Se\n","nsites":12,"nelements":3,"elements":["Te","W","Se"],"chemical_system":"Se-Te-W","density":6.730208109268319,"density_atomic":0.033214265126841405,"volume":361.2905465219055,"volume_molar":18.131187720102027,"formula_full":"Te2 W4 Se6","formula_reduced":"TeW2Se3","formula_anonymous":"AB2C3","energy_above_hull":3.825122977777778,"spacegroup":156},{"id":"jvasp-106729","created_at":"2022-09-04T14:36:49.613349Z","updated_at":"2022-09-04T14:36:49.613372Z","structure_string":"Ta2 Mn1 V3\n1.0\n4.318070 -0.005555 2.385182\n1.404822 4.083165 2.385182\n-0.007797 -0.005555 4.933027\nTa Mn V\n2 1 3\ndirect\n0.625594 0.625592 0.625595 Ta\n0.374406 0.374405 0.374407 Ta\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.499999 0.000000 V\n0.500000 -0.000001 0.000000 V\n-0.000000 -0.000001 0.500001 V\n","nsites":6,"nelements":3,"elements":["Ta","Mn","V"],"chemical_system":"Mn-Ta-V","density":10.856740558470804,"density_atomic":0.06886319671281516,"volume":87.12926913663631,"volume_molar":8.745078717612461,"formula_full":"Ta2 Mn1 V3","formula_reduced":"Ta2MnV3","formula_anonymous":"AB2C3","energy_above_hull":5.646596373563218,"spacegroup":166},{"id":"jvasp-100848","created_at":"2022-09-04T14:36:41.686145Z","updated_at":"2022-09-04T14:36:41.686171Z","structure_string":"Ce2 Al1 Fe3\n1.0\n4.505557 0.000000 2.685089\n-3.052869 4.264943 0.000000\n-0.006217 -0.004450 5.133120\nCe Al Fe\n2 1 3\ndirect\n0.517063 0.758532 0.724404 Ce\n0.982936 0.991467 0.025597 Ce\n0.750000 0.375000 0.875000 Al\n0.250000 0.375000 0.375000 Fe\n0.249999 0.874999 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n","nsites":6,"nelements":3,"elements":["Ce","Al","Fe"],"chemical_system":"Al-Ce-Fe","density":7.983545025004159,"density_atomic":0.060762312692230154,"volume":98.74541856875761,"volume_molar":9.910980167102935,"formula_full":"Ce2 Al1 Fe3","formula_reduced":"Ce2AlFe3","formula_anonymous":"AB2C3","energy_above_hull":2.9915867166666663,"spacegroup":166},{"id":"jvasp-102744","created_at":"2022-09-04T14:36:41.268766Z","updated_at":"2022-09-04T14:36:41.268791Z","structure_string":"Hg2 I1 Br3\n1.0\n4.219624 0.237045 0.051357\n1.593461 3.914371 0.051357\n-0.104633 -0.074724 12.719716\nHg I Br\n2 1 3\ndirect\n0.840590 0.840592 0.444195 Hg\n0.158045 0.158046 0.927782 Hg\n0.569559 0.569561 0.296505 I\n0.431175 0.431177 0.799576 Br\n0.110579 0.110579 0.575526 Br\n0.890048 0.890050 0.059459 Br\n","nsites":6,"nelements":3,"elements":["Hg","I","Br"],"chemical_system":"Br-Hg-I","density":6.209632424449247,"density_atomic":0.0292228073469651,"volume":205.31908275483065,"volume_molar":20.607673617727983,"formula_full":"Hg2 I1 Br3","formula_reduced":"Hg2IBr3","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":8}]}