{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3469","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3467","results":[{"id":"jvasp-51394","created_at":"2022-09-04T14:37:00.743700Z","updated_at":"2022-09-04T14:37:00.743728Z","structure_string":"Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n","nsites":22,"nelements":4,"elements":["Cd","H","S","O"],"chemical_system":"Cd-H-O-S","density":4.45737932358562,"density_atomic":0.0831989918048997,"volume":264.42628116924357,"volume_molar":7.238237662929646,"formula_full":"Cd4 H4 S2 O12","formula_reduced":"Cd2H2SO6","formula_anonymous":"AB2C2D6","energy_above_hull":1.8284154999999995,"spacegroup":15},{"id":"jvasp-42216","created_at":"2022-09-04T14:36:56.001862Z","updated_at":"2022-09-04T14:36:56.001892Z","structure_string":"Li4 Co4 O2 F12\n1.0\n5.303852 0.099438 0.082915\n0.966966 6.737850 -0.009268\n2.345760 2.485235 7.599997\nLi Co O F\n4 4 2 12\ndirect\n0.110605 0.444957 0.263012 Li\n0.580780 0.268358 0.320695 Li\n0.419221 0.731642 0.679305 Li\n0.889396 0.555042 0.736987 Li\n0.268716 0.007258 0.190687 Co\n0.752773 0.783618 0.297797 Co\n0.247227 0.216382 0.702202 Co\n0.731284 0.992741 0.809312 Co\n0.419589 0.864632 0.367383 O\n0.580412 0.135368 0.632616 O\n0.298133 0.081787 0.937764 F\n0.874938 0.261667 0.797217 F\n0.252858 0.496212 0.720503 F\n0.778128 0.682713 0.529320 F\n0.221873 0.317287 0.470679 F\n0.374011 0.280698 0.157122 F\n0.125063 0.738333 0.202782 F\n0.701868 0.918213 0.062236 F\n0.887546 0.069750 0.277154 F\n0.112455 0.930250 0.722845 F\n0.747143 0.503788 0.279497 F\n0.625989 0.719302 0.842877 F\n","nsites":22,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":3.2209381257827263,"density_atomic":0.08151899992964062,"volume":269.8757347242764,"volume_molar":7.38740755553642,"formula_full":"Li4 Co4 O2 F12","formula_reduced":"Li2Co2OF6","formula_anonymous":"AB2C2D6","energy_above_hull":0.8510906359090908,"spacegroup":2},{"id":"jvasp-34637","created_at":"2022-09-04T14:36:46.085046Z","updated_at":"2022-09-04T14:36:46.085082Z","structure_string":"Ba2 Na4 Si4 O12\n1.0\n0.000000 5.735304 0.007988\n4.797819 0.000000 0.000000\n0.000000 -0.304633 -11.464334\nBa Na Si O\n2 4 4 12\ndirect\n0.251871 0.742289 0.096816 Ba\n0.748129 0.242289 0.903183 Ba\n0.181330 0.756007 0.485277 Na\n0.705195 0.753645 0.678938 Na\n0.818669 0.256007 0.514723 Na\n0.294805 0.253645 0.321062 Na\n0.222216 0.803713 0.804752 Si\n0.323422 0.296424 0.651739 Si\n0.777784 0.303712 0.195247 Si\n0.676578 0.796424 0.348260 Si\n0.176483 0.130277 0.756147 O\n0.224377 0.234366 0.521233 O\n0.601006 0.251021 0.677479 O\n0.012931 0.225799 0.127228 O\n0.823517 0.630277 0.243852 O\n0.398994 0.751021 0.322521 O\n0.460112 0.773153 0.883335 O\n0.775623 0.734366 0.478766 O\n0.746016 0.132307 0.321392 O\n0.253984 0.632307 0.678607 O\n0.987069 0.725799 0.872771 O\n0.539888 0.273153 0.116665 O\n","nsites":22,"nelements":4,"elements":["Ba","Na","Si","O"],"chemical_system":"Ba-Na-O-Si","density":3.5318709035322975,"density_atomic":0.0697412329805842,"volume":315.451836163045,"volume_molar":8.634978910792343,"formula_full":"Ba2 Na4 Si4 O12","formula_reduced":"BaNa2(SiO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":1.8433983790909088,"spacegroup":4},{"id":"jvasp-42369","created_at":"2022-09-04T14:37:28.723140Z","updated_at":"2022-09-04T14:37:28.723168Z","structure_string":"Li2 Mn4 B4 O12\n1.0\n5.209526 -0.059381 -0.031121\n-2.288042 5.264983 -0.022638\n-0.066570 -2.564509 8.736989\nLi Mn B O\n2 4 4 12\ndirect\n0.254190 0.673088 0.189309 Li\n0.745811 0.326912 0.810691 Li\n0.760068 0.744335 0.398663 Mn\n0.277341 0.752014 0.870275 Mn\n0.722660 0.247985 0.129725 Mn\n0.239933 0.255664 0.601337 Mn\n0.780088 0.744342 0.054033 B\n0.274239 0.741640 0.530111 B\n0.725762 0.258360 0.469889 B\n0.219913 0.255658 0.945967 B\n0.622200 0.282067 0.606945 O\n0.141003 0.332790 0.825325 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0.000000 0.000000 Mn\n0.628456 0.628456 0.628455 Se\n0.371544 0.371544 0.371544 Se\n0.249660 0.249660 0.731301 O\n0.249660 0.731302 0.249659 O\n0.731302 0.249660 0.249660 O\n0.268699 0.750340 0.750339 O\n0.750340 0.750340 0.268698 O\n0.750340 0.268699 0.750340 O\n","nsites":11,"nelements":4,"elements":["K","Mn","Se","O"],"chemical_system":"K-Mn-O-Se","density":3.754966219771505,"density_atomic":0.06426601598648575,"volume":171.16355870438815,"volume_molar":9.370645850003172,"formula_full":"K2 Mn1 Se2 O6","formula_reduced":"K2Mn(SeO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":2.03028008861024,"spacegroup":166},{"id":"jvasp-44733","created_at":"2022-09-04T14:38:10.409339Z","updated_at":"2022-09-04T14:38:10.409370Z","structure_string":"Li4 V4 Co2 O12\n1.0\n5.025161 -0.060065 0.000000\n-2.577254 4.314349 -0.000000\n0.000000 -0.000000 10.115940\nLi V Co O\n4 4 2 12\ndirect\n0.174093 0.674093 0.750000 Li\n0.325908 0.825908 0.250000 Li\n0.674093 0.174093 0.750000 Li\n0.825908 0.325908 0.250000 Li\n0.151827 0.848174 0.500000 V\n0.348174 0.651827 0.000000 V\n0.651827 0.348174 0.000000 V\n0.848174 0.151827 0.500000 V\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500000 Co\n0.503635 0.139518 0.393189 O\n0.852635 0.852635 0.386757 O\n0.360483 -0.003635 0.893189 O\n0.647367 0.647367 0.886757 O\n0.352634 0.352634 0.113243 O\n0.003636 0.639518 0.106811 O\n0.496366 0.860483 0.606811 O\n0.139518 0.503635 0.393189 O\n-0.003635 0.360482 0.893189 O\n0.860483 0.496366 0.606811 O\n0.147366 0.147366 0.613243 O\n0.639518 0.003636 0.106811 O\n","nsites":22,"nelements":4,"elements":["Li","V","Co","O"],"chemical_system":"Co-Li-O-V","density":4.128566399662972,"density_atomic":0.10103300660586069,"volume":217.75062169360237,"volume_molar":5.960567701892651,"formula_full":"Li4 V4 Co2 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O\n0.165125 0.165124 0.599533 O\n0.680666 0.025681 0.110882 O\n","nsites":22,"nelements":4,"elements":["Li","Ni","Sb","O"],"chemical_system":"Li-Ni-O-Sb","density":4.9960117805323865,"density_atomic":0.09482225011408843,"volume":232.01305572827047,"volume_molar":6.350978544333496,"formula_full":"Li4 Ni4 Sb2 O12","formula_reduced":"Li2Ni2SbO6","formula_anonymous":"AB2C2D6","energy_above_hull":2.0163410818181813,"spacegroup":64},{"id":"jvasp-42991","created_at":"2022-09-04T14:38:10.146805Z","updated_at":"2022-09-04T14:38:10.146833Z","structure_string":"Li4 Mn4 Cu2 O12\n1.0\n5.069466 -0.054229 -0.000000\n-2.594473 4.355585 0.000000\n0.000000 0.000000 10.119260\nLi Mn Cu O\n4 4 2 12\ndirect\n0.177006 0.677006 0.750000 Li\n0.322996 0.822996 0.250000 Li\n0.677006 0.177005 0.750000 Li\n0.822996 0.322995 0.250000 Li\n0.163544 0.836458 0.500000 Mn\n0.336457 0.663544 0.000000 Mn\n0.663544 0.336456 0.000000 Mn\n0.836458 0.163543 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.506229 0.131558 0.392711 O\n0.840101 0.840100 0.405131 O\n0.368444 0.993772 0.892711 O\n0.659902 0.659901 0.905131 O\n0.340100 0.340100 0.094869 O\n0.006229 0.631558 0.107289 O\n0.493773 0.868443 0.607289 O\n0.131558 0.506229 0.392711 O\n0.993773 0.368442 0.892711 O\n0.868443 0.493772 0.607289 O\n0.159901 0.159901 0.594869 O\n0.631558 0.006228 0.107289 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","Cu","O"],"chemical_system":"Cu-Li-Mn-O","density":4.2378454161808925,"density_atomic":0.0990926340670987,"volume":222.0144837920356,"volume_molar":6.077283964338077,"formula_full":"Li4 Mn4 Cu2 O12","formula_reduced":"Li2Mn2CuO6","formula_anonymous":"AB2C2D6","energy_above_hull":2.473018721159874,"spacegroup":64},{"id":"jvasp-44724","created_at":"2022-09-04T14:38:11.892423Z","updated_at":"2022-09-04T14:38:11.892449Z","structure_string":"Li4 Si4 Ni2 O12\n1.0\n2.890643 4.821822 0.097187\n-2.890643 4.821822 -0.097187\n-0.275950 0.000000 9.093854\nLi Si Ni O\n4 4 2 12\ndirect\n0.613307 0.716759 0.882677 Li\n0.283241 0.386693 0.382678 Li\n0.716759 0.613307 0.617322 Li\n0.386693 0.283241 0.117322 Li\n0.135849 0.793202 0.636557 Si\n0.206798 0.864150 0.136557 Si\n0.793202 0.135849 0.863443 Si\n0.864150 0.206798 0.363443 Si\n0.244229 0.244229 0.750000 Ni\n0.755770 0.755770 0.250000 Ni\n0.756332 0.519711 0.410665 O\n0.480288 0.243668 0.910664 O\n0.000000 0.000000 0.000000 O\n0.126397 0.126397 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.364756 0.853962 0.713505 O\n0.519711 0.756332 0.089335 O\n0.243668 0.480288 0.589335 O\n0.146038 0.635244 0.213505 O\n0.853962 0.364756 0.786495 O\n0.873602 0.873602 0.750000 O\n0.635244 0.146038 0.286495 O\n","nsites":22,"nelements":4,"elements":["Li","Si","Ni","O"],"chemical_system":"Li-Ni-O-Si","density":2.941293898539939,"density_atomic":0.08669543348051038,"volume":253.76192397660392,"volume_molar":6.946318298706944,"formula_full":"Li4 Si4 Ni2 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O\n-0.000014 0.919873 0.396050 O\n0.665272 0.904138 0.605322 O\n","nsites":22,"nelements":4,"elements":["Li","Co","Ni","O"],"chemical_system":"Co-Li-Ni-O","density":4.751366705659397,"density_atomic":0.10997524645489788,"volume":200.04501657582057,"volume_molar":5.47590567343693,"formula_full":"Li4 Co2 Ni4 O12","formula_reduced":"Li2Co(NiO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":2.208098790909091,"spacegroup":36},{"id":"jvasp-43423","created_at":"2022-09-04T14:38:06.451270Z","updated_at":"2022-09-04T14:38:06.451304Z","structure_string":"Li4 Ti2 Mn4 O12\n1.0\n5.089654 0.205443 0.000000\n-2.380117 4.503534 0.000000\n0.000000 0.000000 10.061222\nLi Ti Mn O\n4 2 4 12\ndirect\n0.095834 0.595834 0.750000 Li\n0.404164 0.904164 0.250000 Li\n0.595834 0.095835 0.750000 Li\n0.904164 0.404164 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500000 Ti\n0.164700 0.835298 0.500000 Mn\n0.335298 0.664700 0.000000 Mn\n0.664700 0.335299 0.000000 Mn\n0.835298 0.164700 0.500000 Mn\n0.553781 0.207699 0.387142 O\n0.829245 0.829246 0.409301 O\n0.292299 0.946217 0.887142 O\n0.670752 0.670752 0.909301 O\n0.329246 0.329246 0.090699 O\n0.053781 0.707699 0.112858 O\n0.446217 0.792299 0.612858 O\n0.207699 0.553782 0.387142 O\n0.946217 0.292299 0.887142 O\n0.792299 0.446217 0.612858 O\n0.170753 0.170753 0.590699 O\n0.707699 0.053782 0.112858 O\n","nsites":22,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":3.773465285583195,"density_atomic":0.09340345957146234,"volume":235.53731415235163,"volume_molar":6.447449363899098,"formula_full":"Li4 Ti2 Mn4 O12","formula_reduced":"Li2TiMn2O6","formula_anonymous":"AB2C2D6","energy_above_hull":2.889612165099268,"spacegroup":64}]}