{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4562","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4560","results":[{"id":"jvasp-49856","created_at":"2022-09-04T14:36:54.243676Z","updated_at":"2022-09-04T14:36:54.243712Z","structure_string":"K4 Be4 O6\n1.0\n0.000000 4.968961 -0.002447\n7.950325 0.000000 0.000000\n0.000000 -2.727981 -5.656789\nK Be O\n4 4 6\ndirect\n0.216673 0.351025 0.929705 K\n0.216673 0.148976 0.429705 K\n0.783328 0.851025 0.570295 K\n0.783327 0.648976 0.070295 K\n0.304316 0.513117 0.505780 Be\n0.695684 0.013117 0.994221 Be\n0.304316 0.986883 0.005780 Be\n0.695684 0.486883 0.494221 Be\n0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.392487 0.939896 0.799384 O\n0.607513 0.439896 0.700617 O\n0.392487 0.560105 0.299383 O\n0.607513 0.060104 0.200617 O\n","nsites":14,"nelements":3,"elements":["K","Be","O"],"chemical_system":"Be-K-O","density":2.142784467155768,"density_atomic":0.0626331794490857,"volume":223.52369978887234,"volume_molar":9.61493702374694,"formula_full":"K4 Be4 O6","formula_reduced":"K2Be2O3","formula_anonymous":"A2B2C3","energy_above_hull":1.1470769571428572,"spacegroup":14},{"id":"jvasp-11793","created_at":"2022-09-04T14:37:04.205931Z","updated_at":"2022-09-04T14:37:04.205962Z","structure_string":"K4 Mn4 O6\n1.0\n0.000000 6.013595 -0.001336\n6.418357 0.000000 0.000000\n0.000000 -2.733185 -5.856814\nK Mn O\n4 4 6\ndirect\n0.816592 0.361418 0.072760 K\n0.816592 0.138582 0.572760 K\n0.183408 0.638582 0.927240 K\n0.183408 0.861418 0.427240 K\n0.331222 0.119552 0.071595 Mn\n0.331222 0.380448 0.571594 Mn\n0.668778 0.880448 0.928405 Mn\n0.668778 0.619553 0.428406 Mn\n0.000000 0.500000 0.500000 O\n0.588406 0.627488 0.713994 O\n0.411595 0.127488 0.786006 O\n0.411594 0.372512 0.286006 O\n0.000000 0.000000 0.000000 O\n0.588405 0.872512 0.213994 O\n","nsites":14,"nelements":3,"elements":["K","Mn","O"],"chemical_system":"K-Mn-O","density":3.46782384865378,"density_atomic":0.06192464622930203,"volume":226.08122698285777,"volume_molar":9.724949800601996,"formula_full":"K4 Mn4 O6","formula_reduced":"K2Mn2O3","formula_anonymous":"A2B2C3","energy_above_hull":2.0525687118226603,"spacegroup":14},{"id":"jvasp-18541","created_at":"2022-09-04T14:37:02.623471Z","updated_at":"2022-09-04T14:37:02.623490Z","structure_string":"Al2 B2 Ru3\n1.0\n2.942844 0.000000 0.000000\n0.000000 2.989205 -0.520602\n0.000000 0.037643 9.058189\nAl B Ru\n2 2 3\ndirect\n0.499999 0.579214 0.158426 Al\n0.499999 0.420787 0.841574 Al\n0.499999 0.722913 0.445824 B\n0.499999 0.277088 0.554176 B\n0.000000 0.825597 0.651193 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.174404 0.348807 Ru\n","nsites":7,"nelements":3,"elements":["Al","B","Ru"],"chemical_system":"Al-B-Ru","density":7.888145173999919,"density_atomic":0.08778483780330101,"volume":79.74042186743979,"volume_molar":6.860114924964351,"formula_full":"Al2 B2 Ru3","formula_reduced":"Al2B2Ru3","formula_anonymous":"A2B2C3","energy_above_hull":4.149636038095239,"spacegroup":65},{"id":"jvasp-8705","created_at":"2022-09-04T14:37:04.864419Z","updated_at":"2022-09-04T14:37:04.864449Z","structure_string":"Mg2 H2 O3\n1.0\n1.538489 -2.664741 0.000000\n1.538489 2.664741 -0.000000\n0.000000 -0.000000 7.384250\nMg H O\n2 2 3\ndirect\n0.333334 0.666667 0.165365 Mg\n0.666667 0.333334 0.834635 Mg\n0.333334 0.666667 0.559763 H\n0.666667 0.333334 0.440237 H\n0.333334 0.666667 0.691292 O\n0.666667 0.333334 0.308708 O\n0.000000 0.000000 0.000000 O\n","nsites":7,"nelements":3,"elements":["Mg","H","O"],"chemical_system":"H-Mg-O","density":2.7048692430975176,"density_atomic":0.11561448611201192,"volume":60.54604604840021,"volume_molar":5.20881159664154,"formula_full":"Mg2 H2 O3","formula_reduced":"Mg2H2O3","formula_anonymous":"A2B2C3","energy_above_hull":1.431244085714286,"spacegroup":164},{"id":"jvasp-50619","created_at":"2022-09-04T14:37:03.454838Z","updated_at":"2022-09-04T14:37:03.454849Z","structure_string":"Li4 Fe4 S6\n1.0\n0.000000 6.071346 0.045892\n6.170311 0.000000 0.000000\n0.000000 -3.021808 -6.601425\nLi Fe S\n4 4 6\ndirect\n0.765607 0.395074 0.358744 Li\n0.734394 0.895074 0.641256 Li\n0.265606 0.104926 0.358744 Li\n0.234393 0.604926 0.641255 Li\n0.147742 0.640178 0.021732 Fe\n0.647743 0.859821 0.021732 Fe\n0.352258 0.140178 0.978268 Fe\n0.852258 0.359822 0.978268 Fe\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n0.638991 0.020014 0.303199 S\n0.861010 0.520014 0.696801 S\n0.138990 0.479986 0.303198 S\n0.361009 0.979986 0.696801 S\n","nsites":14,"nelements":3,"elements":["Li","Fe","S"],"chemical_system":"Fe-Li-S","density":2.9884883382746983,"density_atomic":0.05680722653618302,"volume":246.44751827626695,"volume_molar":10.60101175008823,"formula_full":"Li4 Fe4 S6","formula_reduced":"Li2Fe2S3","formula_anonymous":"A2B2C3","energy_above_hull":2.1744501428571423,"spacegroup":14},{"id":"jvasp-9413","created_at":"2022-09-04T14:37:01.510592Z","updated_at":"2022-09-04T14:37:01.510618Z","structure_string":"S6 N4 O4\n1.0\n4.313372 0.000000 -1.203265\n-0.235004 6.547962 -0.842424\n0.020086 -0.107530 8.404763\nS N O\n6 4 4\ndirect\n0.352872 0.128580 0.311219 S\n0.041654 0.371419 0.688781 S\n0.647129 0.871419 0.688782 S\n0.958347 0.628580 0.311219 S\n0.361957 0.250000 0.000000 S\n0.638043 0.750000 0.000001 S\n0.804876 0.803171 0.858637 N\n0.053762 0.303172 0.858636 N\n0.195126 0.196828 0.141364 N\n0.946239 0.696828 0.141365 N\n0.659110 0.603333 0.350093 O\n0.690982 0.103333 0.350093 O\n0.309019 0.896667 0.649908 O\n0.340891 0.396667 0.649908 O\n","nsites":14,"nelements":3,"elements":["S","N","O"],"chemical_system":"N-O-S","density":2.187826178503909,"density_atomic":0.05904195227199254,"volume":237.1195304570089,"volume_molar":10.19976563826582,"formula_full":"S6 N4 O4","formula_reduced":"S3(NO)2","formula_anonymous":"A2B2C3","energy_above_hull":3.3672076428571422,"spacegroup":15},{"id":"jvasp-50278","created_at":"2022-09-04T14:37:05.099085Z","updated_at":"2022-09-04T14:37:05.099103Z","structure_string":"Na4 Be4 O6\n1.0\n0.000000 4.974246 0.011575\n6.843437 0.000000 0.000000\n0.000000 -1.861569 -5.486768\nNa Be O\n4 4 6\ndirect\n0.251418 0.367178 0.888765 Na\n0.748583 0.867179 0.611235 Na\n0.251418 0.132822 0.388764 Na\n0.748583 0.632822 0.111235 Na\n0.298672 0.521580 0.490993 Be\n0.298672 0.978420 0.990994 Be\n0.701328 0.021580 0.009006 Be\n0.701328 0.478420 0.509006 Be\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.419402 0.054864 0.787409 O\n0.580599 0.554865 0.712591 O\n0.419402 0.445136 0.287409 O\n0.580599 0.945136 0.212590 O\n","nsites":14,"nelements":3,"elements":["Na","Be","O"],"chemical_system":"Be-Na-O","density":1.9931048817232804,"density_atomic":0.0750158301843405,"volume":186.62727541103035,"volume_molar":8.027826587003654,"formula_full":"Na4 Be4 O6","formula_reduced":"Na2Be2O3","formula_anonymous":"A2B2C3","energy_above_hull":1.2264001,"spacegroup":14},{"id":"jvasp-48571","created_at":"2022-09-04T14:37:03.802292Z","updated_at":"2022-09-04T14:37:03.802310Z","structure_string":"V4 O6 F4\n1.0\n4.714419 0.346381 -0.085430\n-0.295152 5.318037 0.115856\n-2.196674 -1.851403 5.936113\nV O F\n4 6 4\ndirect\n0.901334 0.298598 0.803628 V\n0.593818 0.232682 0.195581 V\n0.406183 0.767319 0.804419 V\n0.098667 0.701403 0.196372 V\n0.864403 0.369867 0.097293 O\n0.720150 0.866705 0.086583 O\n0.449811 0.519552 0.281179 O\n0.550191 0.480449 0.718821 O\n0.279851 0.133296 0.913417 O\n0.135598 0.630134 0.902707 O\n0.901189 0.241716 0.497728 F\n0.670594 0.967398 0.704498 F\n0.329408 0.032603 0.295502 F\n0.098813 0.758285 0.502272 F\n","nsites":14,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.178876719560674,"density_atomic":0.09376322976995742,"volume":149.31226275319418,"volume_molar":6.422710453527432,"formula_full":"V4 O6 F4","formula_reduced":"V2O3F2","formula_anonymous":"A2B2C3","energy_above_hull":2.165647066428572,"spacegroup":2},{"id":"jvasp-14125","created_at":"2022-09-04T14:38:06.324547Z","updated_at":"2022-09-04T14:38:06.324566Z","structure_string":"Tl4 Sn4 S6\n1.0\n6.926577 -0.076438 -1.786424\n-0.937059 6.991191 -3.932442\n-0.052392 -0.024884 8.260666\nTl Sn S\n4 4 6\ndirect\n0.507117 0.225874 0.239423 Tl\n0.992884 0.986451 0.760578 Tl\n0.492884 0.774126 0.760578 Tl\n0.007116 0.013549 0.239423 Tl\n0.467593 0.748593 0.240268 Sn\n0.032407 0.508327 0.759734 Sn\n0.532408 0.251407 0.759734 Sn\n0.967593 0.491674 0.240268 Sn\n0.695100 0.637628 0.453249 S\n0.804901 0.184381 0.546752 S\n0.304900 0.362372 0.546752 S\n0.195100 0.815619 0.453249 S\n0.750000 0.589695 0.000000 S\n0.250000 0.410305 0.000000 S\n","nsites":14,"nelements":3,"elements":["Tl","Sn","S"],"chemical_system":"S-Sn-Tl","density":6.194092755874457,"density_atomic":0.03517219301836694,"volume":398.041714165767,"volume_molar":17.121880221842392,"formula_full":"Tl4 Sn4 S6","formula_reduced":"Tl2Sn2S3","formula_anonymous":"A2B2C3","energy_above_hull":0.7836355142857144,"spacegroup":15},{"id":"jvasp-46396","created_at":"2022-09-04T14:38:09.530023Z","updated_at":"2022-09-04T14:38:09.530039Z","structure_string":"Na4 Mn4 O6\n1.0\n0.000000 5.691439 0.056448\n6.299065 0.000000 0.000000\n0.000000 -2.691217 -5.527442\nNa Mn O\n4 4 6\ndirect\n0.064780 0.362670 0.758451 Na\n0.564780 0.137330 0.758451 Na\n0.435219 0.862670 0.241549 Na\n0.935219 0.637331 0.241548 Na\n0.480320 0.621182 0.697986 Mn\n0.019679 0.121182 0.302013 Mn\n0.980320 0.878819 0.697986 Mn\n0.519679 0.378818 0.302013 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.241668 0.879108 0.552817 O\n0.258331 0.379108 0.447182 O\n0.741668 0.620893 0.552817 O\n0.758331 0.120893 0.447182 O\n","nsites":14,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":3.433032018192178,"density_atomic":0.07099175688888183,"volume":197.20599423836163,"volume_molar":8.482873257279735,"formula_full":"Na4 Mn4 O6","formula_reduced":"Na2Mn2O3","formula_anonymous":"A2B2C3","energy_above_hull":2.127570426108374,"spacegroup":14},{"id":"jvasp-44231","created_at":"2022-09-04T14:38:08.931809Z","updated_at":"2022-09-04T14:38:08.931837Z","structure_string":"Na4 Ni4 O6\n1.0\n0.000000 5.741578 -0.057673\n5.393984 0.000000 0.000000\n0.000000 -2.939537 -5.376154\nNa Ni O\n4 4 6\ndirect\n0.151844 0.344855 0.892431 Na\n0.151845 0.155145 0.392431 Na\n0.848154 0.844854 0.607568 Na\n0.848155 0.655145 0.107568 Na\n0.341055 0.640966 0.589065 Ni\n0.658944 0.140967 0.910933 Ni\n0.341055 0.859033 0.089066 Ni\n0.658944 0.359033 0.410933 Ni\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.340732 0.930554 0.766310 O\n0.340733 0.569445 0.266310 O\n0.659266 0.430555 0.733688 O\n0.659267 0.069445 0.233689 O\n","nsites":14,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":4.192951873155848,"density_atomic":0.08362510850951403,"volume":167.41383359050852,"volume_molar":7.20135479323756,"formula_full":"Na4 Ni4 O6","formula_reduced":"Na2Ni2O3","formula_anonymous":"A2B2C3","energy_above_hull":1.1346204714285717,"spacegroup":14},{"id":"jvasp-37489","created_at":"2022-09-04T14:38:05.382429Z","updated_at":"2022-09-04T14:38:05.382456Z","structure_string":"Yb2 Cr2 C3\n1.0\n-3.564649 -0.000964 0.000965\n1.781138 5.078330 0.012824\n-0.002703 -1.496042 -5.288942\nYb Cr C\n2 2 3\ndirect\n0.400463 0.800691 0.185813 Yb\n0.599537 0.199311 0.814189 Yb\n0.157991 0.315907 0.401395 Cr\n0.842009 0.684095 0.598606 Cr\n-0.000000 0.000000 0.500000 C\n0.687157 0.374121 0.293259 C\n0.312843 0.625881 0.706743 C\n","nsites":7,"nelements":3,"elements":["Yb","Cr","C"],"chemical_system":"C-Cr-Yb","density":8.437916571425506,"density_atomic":0.07317364798516478,"volume":95.66285394735519,"volume_molar":8.22993102820421,"formula_full":"Yb2 Cr2 C3","formula_reduced":"Yb2Cr2C3","formula_anonymous":"A2B2C3","energy_above_hull":4.213590885714287,"spacegroup":12}]}