{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3512","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3510","results":[{"id":"jvasp-119508","created_at":"2022-09-04T14:38:51.092541Z","updated_at":"2022-09-04T14:38:51.092570Z","structure_string":"Al4 Ni15 Sn1\n1.0\n3.598251 -0.000000 0.000000\n0.000000 3.598251 0.000000\n-0.000000 -0.000000 17.814774\nAl Ni Sn\n4 15 1\ndirect\n0.000000 0.000000 0.206750 Al\n0.000000 0.000000 0.402181 Al\n0.000000 0.000000 0.597819 Al\n0.000000 0.000000 0.793250 Al\n-0.000000 0.500000 0.695611 Ni\n-0.000000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.304388 Ni\n-0.000000 0.500000 0.108928 Ni\n0.500000 0.000000 0.891072 Ni\n0.500000 0.000000 0.695611 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.108928 Ni\n-0.000000 0.500000 0.891072 Ni\n0.500000 0.500000 0.793863 Ni\n0.500000 0.500000 0.597915 Ni\n0.500000 0.500000 0.402085 Ni\n0.500000 0.500000 0.206137 Ni\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.304388 Ni\n0.000000 0.000000 0.000000 Sn\n","nsites":20,"nelements":3,"elements":["Al","Ni","Sn"],"chemical_system":"Al-Ni-Sn","density":7.969811829479582,"density_atomic":0.08670951737015219,"volume":230.6551876493843,"volume_molar":6.9451900352440274,"formula_full":"Al4 Ni15 Sn1","formula_reduced":"Al4Ni15Sn","formula_anonymous":"AB4C15","energy_above_hull":1.4172239450000002,"spacegroup":123},{"id":"jvasp-120740","created_at":"2022-09-04T14:38:54.210344Z","updated_at":"2022-09-04T14:38:54.210372Z","structure_string":"Li2 V4 F14\n1.0\n7.168145 -0.202836 1.994732\n3.693368 6.146745 1.994732\n0.042229 0.023109 5.162968\nLi V F\n2 4 14\ndirect\n0.507716 0.492285 0.250000 Li\n0.492285 0.507716 0.750000 Li\n0.660103 0.011765 0.732164 V\n0.011765 0.660103 0.232164 V\n0.339898 0.988235 0.267835 V\n0.988236 0.339898 0.767835 V\n0.148857 0.078032 0.013512 F\n0.078032 0.148857 0.513512 F\n0.578345 0.805570 0.005185 F\n0.805570 0.578344 0.505185 F\n-0.000000 0.500000 -0.000000 F\n0.500001 -0.000000 0.500000 F\n0.851144 0.921968 0.986487 F\n0.421656 0.194430 -0.005186 F\n0.364255 0.720516 0.464531 F\n0.921968 0.851144 0.486487 F\n0.279485 0.635746 0.035468 F\n0.635746 0.279485 0.535468 F\n0.194430 0.421656 0.494814 F\n0.720516 0.364254 0.964531 F\n","nsites":20,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":3.481702206863966,"density_atomic":0.086708804658422,"volume":230.65708354286954,"volume_molar":6.9452471219311995,"formula_full":"Li2 V4 F14","formula_reduced":"LiV2F7","formula_anonymous":"AB2C7","energy_above_hull":0.70543603775,"spacegroup":15},{"id":"jvasp-10818","created_at":"2022-09-04T14:36:43.479375Z","updated_at":"2022-09-04T14:36:43.479390Z","structure_string":"Mg1 Mn4 S8\n1.0\n6.878561 0.006076 0.004296\n3.444542 5.966120 0.000000\n3.444542 1.988707 5.624914\nMg Mn S\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mn\n0.499999 0.500000 0.000000 Mn\n0.499999 0.500001 0.500000 Mn\n0.499999 0.000001 0.500000 Mn\n0.259321 0.256848 0.256848 S\n0.259320 0.256849 0.726984 S\n0.259321 0.726984 0.256848 S\n0.727599 0.257467 0.257467 S\n0.272400 0.742534 0.742533 S\n0.740678 0.743153 0.273016 S\n0.740678 0.273017 0.743152 S\n0.740678 0.743153 0.743152 S\n","nsites":13,"nelements":3,"elements":["Mg","Mn","S"],"chemical_system":"Mg-Mn-S","density":3.603686685270733,"density_atomic":0.056359902433984824,"volume":230.66044188467305,"volume_molar":10.685151144563852,"formula_full":"Mg1 Mn4 S8","formula_reduced":"Mg(MnS2)4","formula_anonymous":"AB4C8","energy_above_hull":2.8971498473474804,"spacegroup":166},{"id":"jvasp-86289","created_at":"2022-09-04T14:35:59.442793Z","updated_at":"2022-09-04T14:35:59.442818Z","structure_string":"Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n","nsites":8,"nelements":2,"elements":["Au","Br"],"chemical_system":"Au-Br","density":7.972271929721172,"density_atomic":0.03468056856152811,"volume":230.6767256657542,"volume_molar":17.364596400188454,"formula_full":"Au4 Br4","formula_reduced":"AuBr","formula_anonymous":"AB","energy_above_hull":0.0794958374999999,"spacegroup":141},{"id":"jvasp-86892","created_at":"2022-09-04T14:35:54.934915Z","updated_at":"2022-09-04T14:35:54.934945Z","structure_string":"Au4 Br4\n1.0\n6.024684 0.117612 -3.121107\n-3.826349 5.578240 -0.542446\n0.080675 -0.117612 6.784660\nAu Br\n4 4\ndirect\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.499999 0.500000 -0.000001 Au\n0.500000 -0.000000 -0.000000 Au\n0.749999 0.566402 0.816401 Br\n0.249999 0.816402 0.566401 Br\n0.250000 0.433598 0.183597 Br\n0.749999 0.183598 0.433597 Br\n","nsites":8,"nelements":2,"elements":["Au","Br"],"chemical_system":"Au-Br","density":7.972271929721172,"density_atomic":0.03468056856152811,"volume":230.6767256657542,"volume_molar":17.364596400188454,"formula_full":"Au4 Br4","formula_reduced":"AuBr","formula_anonymous":"AB","energy_above_hull":0.0794958374999999,"spacegroup":141},{"id":"jvasp-80724","created_at":"2022-09-04T14:36:49.548138Z","updated_at":"2022-09-04T14:36:49.548153Z","structure_string":"Ba4\n1.0\n-3.848392 -4.159773 0.000000\n-3.848392 4.159773 0.000000\n0.000000 0.000000 -7.206057\nBa\n4\ndirect\n0.374948 0.125052 0.250000 Ba\n0.625052 0.874948 0.750000 Ba\n0.874954 0.625045 0.250000 Ba\n0.125046 0.374954 0.750000 Ba\n","nsites":4,"nelements":1,"elements":["Ba"],"chemical_system":"Ba","density":3.9535605805341154,"density_atomic":0.017337375991168236,"volume":230.71542095168402,"volume_molar":34.73501851184236,"formula_full":"Ba4","formula_reduced":"Ba","formula_anonymous":"A","energy_above_hull":0.1697199999999999,"spacegroup":191},{"id":"jvasp-117127","created_at":"2022-09-04T14:38:48.150033Z","updated_at":"2022-09-04T14:38:48.150059Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n6.688860 0.000344 3.513959\n6.087900 2.770978 3.513959\n-0.012024 -0.002608 12.443362\nLi Mn Co O\n8 2 4 14\ndirect\n0.000001 -0.000000 0.500000 Li\n0.296058 0.296058 0.058961 Li\n0.573907 0.573904 0.646207 Li\n0.426095 0.426094 0.353793 Li\n0.703944 0.703941 0.941039 Li\n0.871898 0.871896 0.186324 Li\n0.128104 0.128102 0.813676 Li\n0.500000 0.500000 0.000000 Li\n0.356440 0.356438 0.715490 Mn\n0.643562 0.643560 0.284510 Mn\n0.784216 0.784213 0.572530 Co\n0.068331 0.068331 0.142717 Co\n0.931671 0.931668 0.857283 Co\n0.215786 0.215785 0.427470 Co\n0.893558 0.893557 0.021457 O\n0.955763 0.955760 0.681959 O\n0.241571 0.241570 0.258339 O\n0.526226 0.526224 0.822046 O\n0.382208 0.382207 0.546491 O\n0.667533 0.667532 0.121797 O\n0.809292 0.809290 0.406841 O\n0.106444 0.106442 0.978543 O\n0.044239 0.044239 0.318041 O\n0.332469 0.332466 0.878203 O\n0.617794 0.617792 0.453509 O\n0.473776 0.473775 0.177954 O\n0.758431 0.758429 0.741661 O\n0.190710 0.190709 0.593159 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.498976830032166,"density_atomic":0.12135380894782578,"volume":230.73029386360813,"volume_molar":4.962465383010044,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy_above_hull":2.557236681527094,"spacegroup":12},{"id":"jvasp-58165","created_at":"2022-09-04T14:36:58.556063Z","updated_at":"2022-09-04T14:36:58.556088Z","structure_string":"Ca4 Ti2 Ir2 O12\n1.0\n0.000000 5.396992 -0.003139\n5.547233 0.000000 0.000000\n0.000000 -5.376459 -7.703725\nCa Ti Ir O\n4 2 2 12\ndirect\n0.262523 0.052029 0.250427 Ca\n0.737477 0.552029 0.249573 Ca\n0.262524 0.447970 0.750428 Ca\n0.737477 0.947970 0.749574 Ca\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.754912 0.208815 0.953909 O\n0.660659 0.701315 0.956067 O\n0.245088 0.708815 0.546092 O\n0.840127 0.976491 0.253216 O\n0.159874 0.023508 0.746785 O\n0.245088 0.791184 0.046092 O\n0.339341 0.298684 0.043934 O\n0.660659 0.798684 0.456067 O\n0.339341 0.201316 0.543934 O\n0.840127 0.523508 0.753216 O\n0.754912 0.291184 0.453909 O\n0.159873 0.476491 0.246785 O\n","nsites":20,"nelements":4,"elements":["Ca","Ti","Ir","O"],"chemical_system":"Ca-Ir-O-Ti","density":5.991201763162093,"density_atomic":0.08668117529315249,"volume":230.73060479810928,"volume_molar":6.947460898670727,"formula_full":"Ca4 Ti2 Ir2 O12","formula_reduced":"Ca2TiIrO6","formula_anonymous":"ABC2D6","energy_above_hull":2.376288127333333,"spacegroup":14},{"id":"jvasp-48716","created_at":"2022-09-04T14:35:53.042754Z","updated_at":"2022-09-04T14:35:53.042774Z","structure_string":"Mn2 P2 H4 C2 O12\n1.0\n5.990732 0.000000 -0.010361\n-2.995366 7.488367 0.005180\n-2.069203 0.000000 5.146931\nMn P H C O\n2 2 4 2 12\ndirect\n0.194318 0.388638 0.500000 Mn\n0.805681 0.611363 0.500000 Mn\n0.330296 0.660591 0.000000 P\n0.669704 0.339409 0.000000 P\n0.179182 0.811351 0.180229 H\n0.632167 0.811351 0.819771 H\n0.367832 0.188650 0.180229 H\n0.820818 0.188650 0.819771 H\n0.102520 -0.000000 0.447799 C\n0.897480 -0.000000 0.552201 C\n0.816585 0.216260 -0.009773 O\n0.399674 0.216260 0.009773 O\n0.611226 0.448580 0.749840 O\n0.745973 0.849155 0.590062 O\n0.254027 0.150845 0.409937 O\n0.103181 0.849155 0.409937 O\n0.600326 0.783741 -0.009773 O\n0.183414 0.783741 0.009773 O\n0.162648 0.551420 0.749840 O\n0.837352 0.448580 0.250160 O\n0.388773 0.551420 0.250160 O\n0.896818 0.150845 0.590062 O\n","nsites":22,"nelements":5,"elements":["Mn","P","H","C","O"],"chemical_system":"C-H-Mn-O-P","density":2.820183431781415,"density_atomic":0.09534751866795538,"volume":230.7348980586929,"volume_molar":6.315991065244089,"formula_full":"Mn2 P2 H4 C2 O12","formula_reduced":"MnPH2CO6","formula_anonymous":"ABCD2E6","energy_above_hull":3.472329431034483,"spacegroup":12},{"id":"jvasp-64086","created_at":"2022-09-04T14:36:16.689565Z","updated_at":"2022-09-04T14:36:16.689588Z","structure_string":"Ba4 Hf1 Fe1\n1.0\n0.000000 4.868287 4.868287\n4.868287 -0.000000 4.868287\n4.868287 4.868287 0.000000\nBa Hf Fe\n4 1 1\ndirect\n0.126375 0.624542 0.624542 Ba\n0.624542 0.624542 0.624542 Ba\n0.624542 0.126375 0.624542 Ba\n0.624542 0.624542 0.126375 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Fe\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Fe"],"chemical_system":"Ba-Fe-Hf","density":5.639087592230111,"density_atomic":0.026001160668912896,"volume":230.75892943400896,"volume_molar":23.161045911308484,"formula_full":"Ba4 Hf1 Fe1","formula_reduced":"Ba4HfFe","formula_anonymous":"ABC4","energy_above_hull":1.7103437299999995,"spacegroup":216},{"id":"jvasp-27668","created_at":"2022-09-04T14:37:28.584889Z","updated_at":"2022-09-04T14:37:28.584923Z","structure_string":"Zn2 Cu2 Ge4 O12\n1.0\n5.098079 -0.100326 1.033371\n1.224340 6.629853 0.574927\n-0.163011 -0.127959 6.763251\nZn Cu Ge O\n2 2 4 12\ndirect\n0.750000 0.264963 0.735036 Zn\n0.250000 0.735036 0.264964 Zn\n0.750000 0.904996 0.095003 Cu\n0.250000 0.095003 0.904997 Cu\n0.787436 0.392831 0.206639 Ge\n0.712565 0.793360 0.607169 Ge\n0.212565 0.607168 0.793361 Ge\n0.287436 0.206639 0.392831 Ge\n0.622678 0.976937 0.796287 O\n0.877323 0.203713 0.023062 O\n0.615289 0.624940 0.137217 O\n0.884712 0.862783 0.375059 O\n0.384712 0.375058 0.862784 O\n0.911325 0.573475 0.707718 O\n0.088675 0.426524 0.292283 O\n0.411325 0.707717 0.573476 O\n0.122678 0.796286 0.976938 O\n0.588675 0.292282 0.426524 O\n0.115289 0.137216 0.624941 O\n0.377323 0.023062 0.203713 O\n","nsites":20,"nelements":4,"elements":["Zn","Cu","Ge","O"],"chemical_system":"Cu-Ge-O-Zn","density":5.3282296991192934,"density_atomic":0.08666836270720835,"volume":230.76471477332487,"volume_molar":6.948487974031069,"formula_full":"Zn2 Cu2 Ge4 O12","formula_reduced":"ZnCu(GeO3)2","formula_anonymous":"ABC2D6","energy_above_hull":1.539904375,"spacegroup":15},{"id":"jvasp-97421","created_at":"2022-09-04T14:36:06.289818Z","updated_at":"2022-09-04T14:36:06.289830Z","structure_string":"Cu2 C8 O8\n1.0\n5.203732 -0.053357 1.917569\n1.834331 6.458236 1.796508\n-0.112537 0.653110 6.918222\nCu C O\n2 8 8\ndirect\n0.749999 0.110533 0.889467 Cu\n0.249999 0.889467 0.110534 Cu\n0.370641 0.976554 0.647752 C\n0.099158 0.549934 0.072404 C\n0.129358 0.352248 0.023446 C\n0.599158 0.072404 0.549934 C\n0.900841 0.450066 0.927597 C\n0.400841 0.927597 0.450067 C\n0.629358 0.023446 0.352248 C\n0.870641 0.647752 0.976554 C\n0.702301 0.821591 0.947485 O\n0.202301 0.947485 0.821591 O\n0.776008 0.402300 0.836206 O\n0.223991 0.597701 0.163794 O\n0.723991 0.163794 0.597701 O\n0.797698 0.052515 0.178409 O\n0.297698 0.178409 0.052515 O\n0.276008 0.836206 0.402300 O\n","nsites":18,"nelements":3,"elements":["Cu","C","O"],"chemical_system":"C-Cu-O","density":2.5268773522806858,"density_atomic":0.07799858071897496,"volume":230.7734299019249,"volume_molar":7.720833769652138,"formula_full":"Cu2 C8 O8","formula_reduced":"Cu(CO)4","formula_anonymous":"AB4C4","energy_above_hull":4.327284938888889,"spacegroup":15}]}