{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=535","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=533","results":[{"id":"jvasp-117009","created_at":"2022-09-04T14:38:48.034801Z","updated_at":"2022-09-04T14:38:48.034828Z","structure_string":"Na6 Zr2 Si4 O17\n1.0\n5.352367 0.030409 0.059377\n2.515399 4.724567 0.059377\n-0.058333 -0.035254 14.044758\nNa Zr Si O\n6 2 4 17\ndirect\n0.176911 0.176911 0.111254 Na\n0.823090 0.823091 0.888746 Na\n0.500720 0.500721 0.244004 Na\n0.499281 0.499282 0.755997 Na\n0.817187 0.817188 0.385415 Na\n0.182813 0.182814 0.614585 Na\n0.500000 0.500001 0.000000 Zr\n0.500000 0.500001 0.500000 Zr\n0.153666 0.153667 0.877374 Si\n0.846334 0.846335 0.122627 Si\n0.836952 0.836953 0.629519 Si\n0.163049 0.163049 0.370481 Si\n0.295472 0.295472 0.449083 O\n0.284825 0.284826 0.956221 O\n0.715175 0.715176 0.043779 O\n0.679648 0.188798 0.616778 O\n0.188797 0.679649 0.616778 O\n0.320353 0.811204 0.383222 O\n0.811203 0.320353 0.383222 O\n0.711085 0.190430 0.105578 O\n0.235367 0.235367 0.264080 O\n0.809571 0.288917 0.894423 O\n0.288916 0.809572 0.894423 O\n0.190430 0.711085 0.105578 O\n0.704529 0.704530 0.550917 O\n0.225249 0.225250 0.770032 O\n0.774751 0.774752 0.229969 O\n0.764633 0.764635 0.735920 O\n0.000000 0.000000 0.500000 O\n","nsites":29,"nelements":4,"elements":["Na","Zr","Si","O"],"chemical_system":"Na-O-Si-Zr","density":3.304692040315904,"density_atomic":0.0818962986889362,"volume":354.1063572378242,"volume_molar":7.353373542403525,"formula_full":"Na6 Zr2 Si4 O17","formula_reduced":"Na6Zr2Si4O17","formula_anonymous":"A2B4C6D17","energy_above_hull":2.479340582758621,"spacegroup":12},{"id":"jvasp-120338","created_at":"2022-09-04T14:38:48.060027Z","updated_at":"2022-09-04T14:38:48.060055Z","structure_string":"Mg1 Se2\n1.0\n6.905109 0.974998 0.542946\n-2.047179 -3.538861 0.157015\n-2.269070 -1.521114 -3.398516\nMg Se\n1 2\ndirect\n0.095380 0.082549 0.113397 Mg\n0.350963 0.956625 0.931666 Se\n0.839893 0.208587 0.295163 Se\n","nsites":3,"nelements":2,"elements":["Mg","Se"],"chemical_system":"Mg-Se","density":4.040147410468912,"density_atomic":0.04005543104195582,"volume":74.89621062516261,"volume_molar":15.034517425844562,"formula_full":"Mg1 Se2","formula_reduced":"MgSe2","formula_anonymous":"AB2","energy_above_hull":0.6305677888888888,"spacegroup":12},{"id":"jvasp-110896","created_at":"2022-09-04T14:38:48.071376Z","updated_at":"2022-09-04T14:38:48.071397Z","structure_string":"Y4 Br6\n1.0\n7.303120 -0.065269 4.182705\n6.291423 3.709154 4.182705\n-0.260620 -0.069857 10.663500\nY Br\n4 6\ndirect\n0.919137 0.919134 0.451650 Y\n0.080864 0.080863 0.548350 Y\n0.634042 0.634041 0.212974 Y\n0.365959 0.365957 0.787025 Y\n0.840953 0.840951 0.011971 Br\n0.159049 0.159047 0.988029 Br\n0.725910 0.725908 0.381620 Br\n0.274092 0.274090 0.618379 Br\n0.453258 0.453257 0.229667 Br\n0.546743 0.546741 0.770332 Br\n","nsites":10,"nelements":2,"elements":["Y","Br"],"chemical_system":"Br-Y","density":4.658650691449931,"density_atomic":0.03359695536478293,"volume":297.6460185580453,"volume_molar":17.92466220410121,"formula_full":"Y4 Br6","formula_reduced":"Y2Br3","formula_anonymous":"A2B3","energy_above_hull":0.8582666430000002,"spacegroup":12},{"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-118990","created_at":"2022-09-04T14:38:48.247223Z","updated_at":"2022-09-04T14:38:48.247253Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n5.975006 0.032865 2.100461\n5.284092 2.789291 2.100461\n0.158924 0.039835 14.012254\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.064169 0.064169 0.153728 Li\n0.635341 0.635339 0.299254 Li\n0.935831 0.935830 0.846271 Li\n0.364660 0.364661 0.700746 Li\n0.200481 0.200482 0.436284 Li\n0.799519 0.799517 0.563716 Li\n0.500000 0.500000 0.500000 Li\n0.213619 0.213622 0.928666 Mn\n0.786381 0.786378 0.071333 Mn\n0.071604 0.071606 0.639376 Co\n0.644773 0.644773 0.784857 Co\n0.355228 0.355227 0.215143 Co\n0.928396 0.928393 0.360624 Co\n0.062991 0.062992 0.389514 O\n0.650410 0.650407 0.030136 O\n0.223125 0.223125 0.168266 O\n0.798316 0.798313 0.309427 O\n0.082027 0.082030 0.887377 O\n0.514613 0.514613 0.742463 O\n0.361306 0.361306 0.450248 O\n0.937010 0.937008 0.610486 O\n0.349591 0.349593 0.969863 O\n0.917974 0.917970 0.112622 O\n0.485387 0.485386 0.257537 O\n0.776875 0.776875 0.831733 O\n0.201684 0.201686 0.690573 O\n0.638694 0.638693 0.549752 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.510961003339332,"density_atomic":0.12167706579774046,"volume":230.11731764261495,"volume_molar":4.949281707705208,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy_above_hull":2.5581981100985223,"spacegroup":12},{"id":"jvasp-117105","created_at":"2022-09-04T14:38:48.594982Z","updated_at":"2022-09-04T14:38:48.595014Z","structure_string":"Mg6 Si6\n1.0\n6.066636 0.651597 0.786882\n4.432636 4.192898 0.786882\n0.248535 0.114677 10.155927\nMg Si\n6 6\ndirect\n0.071803 0.071803 0.867890 Mg\n0.928198 0.928199 0.132110 Mg\n0.496176 0.496176 0.350169 Mg\n0.503825 0.503825 0.649830 Mg\n0.215083 0.215084 0.148957 Mg\n0.784917 0.784918 0.851043 Mg\n0.215410 0.215410 0.642819 Si\n0.150288 0.150288 0.424482 Si\n0.411968 0.411968 0.942930 Si\n0.588033 0.588034 0.057070 Si\n0.784591 0.784592 0.357181 Si\n0.849713 0.849713 0.575517 Si\n","nsites":12,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.2877669277592183,"density_atomic":0.05259447598247732,"volume":228.16084343150388,"volume_molar":11.45013929220698,"formula_full":"Mg6 Si6","formula_reduced":"MgSi","formula_anonymous":"AB","energy_above_hull":1.0082586857142852,"spacegroup":12},{"id":"jvasp-121000","created_at":"2022-09-04T14:38:54.203735Z","updated_at":"2022-09-04T14:38:54.203769Z","structure_string":"Na1 H1 F2\n1.0\n2.809735 -1.669460 -0.098860\n2.809735 1.669460 -0.098860\n-2.596615 0.000000 4.517222\nNa H F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.999998 0.999998 0.499999 H\n0.205355 0.205355 0.730893 F\n0.794641 0.794641 0.269106 F\n","nsites":4,"nelements":3,"elements":["Na","H","F"],"chemical_system":"F-H-Na","density":2.47932388530688,"density_atomic":0.09633650504942799,"volume":41.52112429185275,"volume_molar":6.251151374974815,"formula_full":"Na1 H1 F2","formula_reduced":"NaHF2","formula_anonymous":"ABC2","energy_above_hull":0.0124174999999999,"spacegroup":12},{"id":"jvasp-110942","created_at":"2022-09-04T14:38:48.642181Z","updated_at":"2022-09-04T14:38:48.642196Z","structure_string":"Ti2 Cr1 Se4\n1.0\n6.270571 -0.019126 3.039233\n5.257106 3.418078 3.039233\n0.012509 0.003688 6.309857\nTi Cr Se\n2 1 4\ndirect\n0.747093 0.747092 0.282420 Ti\n0.252908 0.252908 0.717579 Ti\n0.000000 0.000000 0.000000 Cr\n0.886573 0.886572 0.451104 Se\n0.113427 0.113428 0.548895 Se\n0.628443 0.628442 0.036949 Se\n0.371558 0.371558 0.963050 Se\n","nsites":7,"nelements":3,"elements":["Ti","Cr","Se"],"chemical_system":"Cr-Se-Ti","density":5.67123400510786,"density_atomic":0.05157165794649492,"volume":135.73346831824625,"volume_molar":11.677229315078279,"formula_full":"Ti2 Cr1 Se4","formula_reduced":"Ti2CrSe4","formula_anonymous":"AB2C4","energy_above_hull":2.79233821904762,"spacegroup":12},{"id":"jvasp-122006","created_at":"2022-09-04T14:38:54.350610Z","updated_at":"2022-09-04T14:38:54.350635Z","structure_string":"Li5 Mn1 Co2 O8\n1.0\n5.417425 -0.019368 1.573325\n2.462750 4.825321 1.573325\n0.043035 0.026246 4.957196\nLi Mn Co O\n5 1 2 8\ndirect\n0.746570 0.746570 0.502219 Li\n0.268151 0.731849 0.499999 Li\n0.731849 0.268151 0.499999 Li\n0.253430 0.253430 0.497780 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.638913 0.638913 0.221655 O\n0.113349 0.638792 0.227930 O\n0.638792 0.113348 0.227931 O\n0.129614 0.129614 0.220618 O\n0.870386 0.870386 0.779381 O\n0.361208 0.886652 0.772068 O\n0.886651 0.361208 0.772068 O\n0.361087 0.361087 0.778344 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.306344886254274,"density_atomic":0.12367478654995732,"volume":129.37155944503647,"volume_molar":4.869335883241981,"formula_full":"Li5 Mn1 Co2 O8","formula_reduced":"Li5Mn(CoO4)2","formula_anonymous":"AB2C5D8","energy_above_hull":2.498697315086207,"spacegroup":12},{"id":"jvasp-123658","created_at":"2022-09-04T14:38:54.371101Z","updated_at":"2022-09-04T14:38:54.371134Z","structure_string":"Dy1 Se2\n1.0\n2.151325 -3.629677 -0.599005\n2.067732 3.581414 -0.000000\n-0.725981 0.419145 5.888370\nDy Se\n1 2\ndirect\n0.000000 0.333351 0.166667 Dy\n0.773438 0.720042 0.428512 Se\n0.226565 -0.053394 0.904823 Se\n","nsites":3,"nelements":2,"elements":["Dy","Se"],"chemical_system":"Dy-Se","density":6.081811430981121,"density_atomic":0.03429142175189034,"volume":87.48543649505064,"volume_molar":17.5616537674412,"formula_full":"Dy1 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F16\n1.0\n7.689823 -0.186250 1.399126\n4.484675 6.249460 1.399126\n0.212805 0.105982 8.179185\nMn Tl O F\n4 4 4 16\ndirect\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.250022 0.749978 0.250001 Mn\n0.749979 0.250021 0.750001 Mn\n0.637171 0.137140 0.375669 Tl\n0.862860 0.362829 0.124332 Tl\n0.362830 0.862860 0.624332 Tl\n0.137141 0.637170 0.875670 Tl\n0.499087 -0.001007 0.798443 O\n0.001007 0.500913 0.701558 O\n0.500914 0.001006 0.201558 O\n-0.001006 0.499086 0.298443 O\n0.490855 0.632720 0.343479 F\n0.367281 0.509146 0.156522 F\n0.867243 0.009181 0.656525 F\n-0.009181 0.132756 0.843476 F\n0.132757 -0.009182 0.343476 F\n0.009182 0.867243 0.156525 F\n0.759964 0.740056 0.000045 F\n0.354543 0.854507 0.052908 F\n0.240036 0.259944 -0.000044 F\n0.740057 0.759963 0.500045 F\n0.645458 0.145492 0.947094 F\n0.854508 0.354542 0.552908 F\n0.632721 0.490854 0.843479 F\n0.145493 0.645457 0.447093 F\n0.259944 0.240036 0.499956 F\n0.509146 0.367280 0.656523 F\n","nsites":28,"nelements":4,"elements":["Mn","Tl","O","F"],"chemical_system":"F-Mn-O-Tl","density":5.870262475716664,"density_atomic":0.07043857533280128,"volume":397.50945937944294,"volume_molar":8.549492563623243,"formula_full":"Mn4 Tl4 O4 F16","formula_reduced":"MnTlOF4","formula_anonymous":"ABCD4","energy_above_hull":0.6000934959113303,"spacegroup":12}]}