{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3399","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3397","results":[{"id":"jvasp-42233","created_at":"2022-09-04T14:36:01.511084Z","updated_at":"2022-09-04T14:36:01.511110Z","structure_string":"Li2 V2 F8\n1.0\n-5.097874 0.000894 -0.001147\n-0.000944 -5.394630 -0.001529\n2.547779 0.245694 5.896420\nLi V F\n2 2 8\ndirect\n-0.001445 0.248245 0.999023 Li\n0.001359 0.748241 0.999024 Li\n0.499979 0.998266 0.499010 V\n-0.000016 0.498263 0.499028 V\n0.234674 0.007884 0.183996 F\n0.653091 0.689228 0.427892 F\n0.775732 0.189226 0.427878 F\n0.049700 0.488620 0.814041 F\n0.950264 0.507874 0.184010 F\n0.224210 0.807308 0.570143 F\n0.346873 0.307305 0.570159 F\n0.765267 0.988610 0.814023 F\n","nsites":12,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.7421446739935176,"density_atomic":0.07400983284351836,"volume":162.14061752270175,"volume_molar":8.136946846958605,"formula_full":"Li2 V2 F8","formula_reduced":"LiVF4","formula_anonymous":"ABC4","energy_above_hull":0.3184742216666666,"spacegroup":15},{"id":"jvasp-86795","created_at":"2022-09-04T14:36:06.662053Z","updated_at":"2022-09-04T14:36:06.662077Z","structure_string":"Sr4 Li2 Co2 N4\n1.0\n5.367150 0.000000 0.000000\n0.000000 5.367150 0.000000\n0.000000 0.000000 7.345524\nSr Li Co N\n4 2 2 4\ndirect\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.737870 0.737870 0.500000 N\n0.762129 0.237870 0.000000 N\n0.262130 0.262130 0.500000 N\n0.237870 0.762129 0.000000 N\n","nsites":12,"nelements":4,"elements":["Sr","Li","Co","N"],"chemical_system":"Co-Li-N-Sr","density":4.224030792372431,"density_atomic":0.05671148218382847,"volume":211.59736155550266,"volume_molar":10.618909131098746,"formula_full":"Sr4 Li2 Co2 N4","formula_reduced":"Sr2LiCoN2","formula_anonymous":"ABC2D2","energy_above_hull":2.3181650033333328,"spacegroup":136},{"id":"jvasp-48122","created_at":"2022-09-04T14:36:07.991394Z","updated_at":"2022-09-04T14:36:07.991423Z","structure_string":"Fe4 O6 F2\n1.0\n-0.125865 4.471758 2.877562\n-0.125865 4.471758 -2.877562\n-4.471758 0.125865 -2.877562\nFe O F\n4 6 2\ndirect\n0.777870 0.750000 0.527870 Fe\n0.222132 0.250000 0.472132 Fe\n0.500001 0.500000 0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.060463 0.750000 0.810463 O\n0.500002 0.803790 0.696211 O\n0.000001 0.303791 0.696210 O\n0.500001 0.196209 0.303792 O\n0.000001 0.696209 0.303792 O\n0.939539 0.250000 0.189540 O\n0.524046 0.250000 0.774046 F\n0.475957 0.750000 0.225957 F\n","nsites":12,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":5.160645352346881,"density_atomic":0.10435521917743634,"volume":114.9918527754349,"volume_molar":5.770809363890547,"formula_full":"Fe4 O6 F2","formula_reduced":"Fe2O3F","formula_anonymous":"AB2C3","energy_above_hull":2.321645297083333,"spacegroup":74},{"id":"jvasp-52354","created_at":"2022-09-04T14:36:00.309506Z","updated_at":"2022-09-04T14:36:00.309534Z","structure_string":"Ba2 Ca2 I8\n1.0\n6.071290 -0.000000 0.000000\n-3.035644 10.861083 -0.000000\n-0.000000 -0.000000 8.071106\nBa Ca I\n2 2 8\ndirect\n0.167844 0.335689 0.918782 Ba\n0.832157 0.664311 0.418782 Ba\n0.409110 0.818217 0.002443 Ca\n0.590891 0.181783 0.502443 Ca\n0.098770 0.197539 0.514457 I\n0.459284 0.918566 0.365449 I\n0.324856 0.649710 0.695477 I\n0.287405 0.574809 0.213100 I\n0.901230 0.802461 0.014456 I\n0.712595 0.425191 0.713101 I\n0.540716 0.081434 0.865450 I\n0.675145 0.350289 0.195477 I\n","nsites":12,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.274615035760859,"density_atomic":0.02254727618650664,"volume":532.2150622868304,"volume_molar":26.708950164028835,"formula_full":"Ba2 Ca2 I8","formula_reduced":"BaCaI4","formula_anonymous":"ABC4","energy_above_hull":0.0089783333333333,"spacegroup":36},{"id":"jvasp-85701","created_at":"2022-09-04T14:36:01.164534Z","updated_at":"2022-09-04T14:36:01.164567Z","structure_string":"Li2 B2 H8\n1.0\n4.186050 -0.000000 0.000000\n-2.093024 3.624788 0.000000\n0.000000 -0.000000 7.181740\nLi B H\n2 2 8\ndirect\n0.666739 0.333476 0.610552 Li\n0.333263 0.666524 0.110552 Li\n0.666634 0.333266 0.036354 B\n0.333368 0.666734 0.536354 B\n0.667057 0.334114 0.866706 H\n0.332944 0.665887 0.366706 H\n0.825198 0.174360 0.093617 H\n0.825194 0.650385 0.094154 H\n0.349162 0.174360 0.093617 H\n0.174803 0.825641 0.593617 H\n0.174808 0.349616 0.594154 H\n0.650839 0.825641 0.593617 H\n","nsites":12,"nelements":3,"elements":["Li","B","H"],"chemical_system":"B-H-Li","density":0.6638886371395566,"density_atomic":0.11011957962814338,"volume":108.97244650335686,"volume_molar":5.46872843170654,"formula_full":"Li2 B2 H8","formula_reduced":"LiBH4","formula_anonymous":"ABC4","energy_above_hull":2.8017837638888894,"spacegroup":186},{"id":"jvasp-48923","created_at":"2022-09-04T14:35:54.354863Z","updated_at":"2022-09-04T14:35:54.354882Z","structure_string":"Li4 Mn2 O4 F2\n1.0\n5.980833 2.304652 -0.132023\n-5.980833 2.304652 0.132023\n-3.837837 0.000000 4.074364\nLi Mn O F\n4 2 4 2\ndirect\n0.324008 0.674738 0.736947 Li\n0.325262 0.675991 0.236947 Li\n0.674737 0.324008 0.763052 Li\n0.675991 0.325262 0.263052 Li\n-0.000063 -0.000063 0.749999 Mn\n0.000063 0.000063 0.250000 Mn\n0.154123 0.846543 0.730646 O\n0.153456 0.845875 0.230647 O\n0.846543 0.154124 0.769352 O\n0.845875 0.153456 0.269353 O\n0.499994 0.499995 0.749999 F\n0.500005 0.500005 0.250000 F\n","nsites":12,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.617987123072951,"density_atomic":0.10910630009215433,"volume":109.98448292962418,"volume_molar":5.519516980150116,"formula_full":"Li4 Mn2 O4 F2","formula_reduced":"Li2MnO2F","formula_anonymous":"ABC2D2","energy_above_hull":1.5132490873132185,"spacegroup":71},{"id":"jvasp-85332","created_at":"2022-09-04T14:36:08.337788Z","updated_at":"2022-09-04T14:36:08.337813Z","structure_string":"Li2 Eu4 Si6\n1.0\n4.122574 -0.000416 -1.224386\n-0.550781 7.427260 -1.857321\n0.071809 -0.030981 7.794647\nLi Eu Si\n2 4 6\ndirect\n0.213232 0.240694 0.426459 Li\n0.786768 0.759306 0.573541 Li\n0.618158 0.931657 0.236399 Eu\n0.385461 0.564935 0.770860 Eu\n0.381841 0.068343 0.763601 Eu\n0.614539 0.435064 0.229140 Eu\n0.790074 0.270942 0.580145 Si\n0.950991 0.852276 0.901855 Si\n0.049008 0.147723 0.098144 Si\n0.954093 0.349487 0.908030 Si\n0.209925 0.729058 0.419855 Si\n0.045906 0.650513 0.091969 Si\n","nsites":12,"nelements":3,"elements":["Li","Eu","Si"],"chemical_system":"Eu-Li-Si","density":5.489158272948773,"density_atomic":0.050196431946365846,"volume":239.06081637080948,"volume_molar":11.997149053212725,"formula_full":"Li2 Eu4 Si6","formula_reduced":"LiEu2Si3","formula_anonymous":"AB2C3","energy_above_hull":2.3185492999999995,"spacegroup":12},{"id":"jvasp-61347","created_at":"2022-09-04T14:36:00.249186Z","updated_at":"2022-09-04T14:36:00.249205Z","structure_string":"Er4 As4 Pt4\n1.0\n2.145836 -3.716696 0.000000\n2.145836 3.716696 -0.000000\n-0.000000 -0.000000 14.999142\nEr As Pt\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.666668 0.333334 0.613586 As\n0.333334 0.666668 0.113586 As\n0.333334 0.666668 0.386414 As\n0.666668 0.333334 0.886414 As\n0.666668 0.333334 0.138530 Pt\n0.333334 0.666668 0.638530 Pt\n0.333334 0.666668 0.861470 Pt\n0.666668 0.333334 0.361470 Pt\n","nsites":12,"nelements":3,"elements":["Er","As","Pt"],"chemical_system":"As-Er-Pt","density":12.139573483856937,"density_atomic":0.05015696695644744,"volume":239.24891651482642,"volume_molar":12.006588766081444,"formula_full":"Er4 As4 Pt4","formula_reduced":"ErAsPt","formula_anonymous":"ABC","energy_above_hull":1.4649777166666664,"spacegroup":194},{"id":"jvasp-42334","created_at":"2022-09-04T14:36:06.473753Z","updated_at":"2022-09-04T14:36:06.473780Z","structure_string":"Fe4 O2 F6\n1.0\n4.657597 -0.140116 0.000000\n-0.140116 4.657597 0.000000\n0.000000 0.000000 5.970992\nFe O F\n4 2 6\ndirect\n0.974873 0.974873 0.000000 Fe\n0.025127 0.025127 0.500000 Fe\n0.500000 0.500000 0.250000 Fe\n0.500000 0.500000 0.750000 Fe\n0.307997 0.307997 0.500000 O\n0.692003 0.692003 0.000000 O\n0.186221 0.813779 0.250000 F\n0.186221 0.813779 0.750000 F\n0.279512 0.279512 0.000000 F\n0.720488 0.720488 0.500000 F\n0.813779 0.186221 0.750000 F\n0.813779 0.186221 0.250000 F\n","nsites":12,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.739501990933733,"density_atomic":0.09272656187232184,"volume":129.4127567947918,"volume_molar":6.494515312982355,"formula_full":"Fe4 O2 F6","formula_reduced":"Fe2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.3416992245833337,"spacegroup":63},{"id":"jvasp-86056","created_at":"2022-09-04T14:36:08.357636Z","updated_at":"2022-09-04T14:36:08.357656Z","structure_string":"Sc4 Ru8\n1.0\n5.129154 -0.000000 0.000000\n-2.564577 4.441978 0.000000\n-0.000000 -0.000000 8.604992\nSc Ru\n4 8\ndirect\n0.333332 0.666667 0.432137 Sc\n0.666666 0.333333 0.567862 Sc\n0.666666 0.333333 0.932137 Sc\n0.333332 0.666667 0.067862 Sc\n0.171994 0.343990 0.750000 Ru\n0.171994 0.828006 0.750000 Ru\n0.343990 0.171995 0.250000 Ru\n0.828005 0.656010 0.250000 Ru\n0.656009 0.828006 0.750000 Ru\n0.000000 0.000000 0.000000 Ru\n0.828005 0.171995 0.250000 Ru\n0.000000 0.000000 0.500000 Ru\n","nsites":12,"nelements":2,"elements":["Sc","Ru"],"chemical_system":"Ru-Sc","density":8.371475996534462,"density_atomic":0.06120806260547994,"volume":196.0526030262824,"volume_molar":9.838803098238955,"formula_full":"Sc4 Ru8","formula_reduced":"ScRu2","formula_anonymous":"AB2","energy_above_hull":3.2969887500000006,"spacegroup":194},{"id":"jvasp-48497","created_at":"2022-09-04T14:36:06.419364Z","updated_at":"2022-09-04T14:36:06.419391Z","structure_string":"Na2 Mn2 O8\n1.0\n2.905770 4.368569 -0.000000\n-2.905770 4.368569 -0.000000\n0.000000 -0.000000 7.102149\nNa Mn O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.629498 0.629498 0.750000 Mn\n0.370502 0.370502 0.250000 Mn\n0.248934 0.707109 0.250000 O\n0.292891 0.751066 0.750000 O\n0.734396 0.734396 0.563618 O\n0.265604 0.265604 0.063618 O\n0.265604 0.265604 0.436382 O\n0.734396 0.734396 0.936382 O\n0.707109 0.248934 0.250000 O\n0.751066 0.292891 0.750000 O\n","nsites":12,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":2.6140810775238617,"density_atomic":0.06655198841815799,"volume":180.31016480832795,"volume_molar":9.04877660778791,"formula_full":"Na2 Mn2 O8","formula_reduced":"NaMnO4","formula_anonymous":"ABC4","energy_above_hull":2.171740040229885,"spacegroup":63},{"id":"jvasp-61617","created_at":"2022-09-04T14:36:00.795560Z","updated_at":"2022-09-04T14:36:00.795587Z","structure_string":"Mn9 Au3\n1.0\n3.785102 -0.000000 0.000000\n0.000000 3.785102 0.000000\n0.000000 -0.000000 10.578475\nMn Au\n9 3\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.300987 Mn\n0.500000 0.500000 0.699013 Mn\n0.000000 0.000000 0.301606 Mn\n0.000000 0.000000 0.698394 Mn\n0.500000 0.000000 0.824140 Mn\n0.000000 0.500000 0.824140 Mn\n0.500000 0.000000 0.175860 Mn\n0.000000 0.500000 0.175860 Mn\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.500000 0.500000 Au\n","nsites":12,"nelements":2,"elements":["Mn","Au"],"chemical_system":"Au-Mn","density":11.89152390304729,"density_atomic":0.07917772288906054,"volume":151.55778118061994,"volume_molar":7.605852429524769,"formula_full":"Mn9 Au3","formula_reduced":"Mn3Au","formula_anonymous":"AB3","energy_above_hull":3.3448273235344823,"spacegroup":123}]}