{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4558","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=4556","results":[{"id":"jvasp-120525","created_at":"2022-09-04T14:38:53.176095Z","updated_at":"2022-09-04T14:38:53.176129Z","structure_string":"La4 V2 Fe2 O12\n1.0\n5.447325 0.000050 0.000519\n0.000036 7.732548 0.002223\n-0.000768 0.001789 5.484872\nLa V Fe O\n4 2 2 12\ndirect\n0.522256 0.250685 0.503931 La\n0.022334 0.249304 0.996311 La\n0.477738 0.749313 0.496064 La\n0.977673 0.750700 0.003687 La\n0.000006 -0.000000 0.499999 V\n0.499994 0.499999 -0.000000 V\n0.000001 0.500000 0.500000 Fe\n0.499999 0.000000 0.000001 Fe\n0.723082 0.966822 0.276242 O\n0.223083 0.533262 0.223756 O\n0.724420 0.533121 0.275861 O\n0.224391 0.966819 0.224089 O\n0.275587 0.466876 0.724137 O\n0.493680 0.249523 0.063081 O\n0.506325 0.750479 0.936919 O\n0.006207 0.749524 0.562981 O\n0.776919 0.466741 0.776243 O\n0.993793 0.250477 0.437021 O\n0.775608 0.033182 0.775912 O\n0.276915 0.033178 0.723758 O\n","nsites":20,"nelements":4,"elements":["La","V","Fe","O"],"chemical_system":"Fe-La-O-V","density":6.90851841321026,"density_atomic":0.08656804744268363,"volume":231.03212548766243,"volume_molar":6.956539898843435,"formula_full":"La4 V2 Fe2 O12","formula_reduced":"La2VFeO6","formula_anonymous":"ABC2D6","energy_above_hull":2.82455407,"spacegroup":14},{"id":"jvasp-121971","created_at":"2022-09-04T14:38:53.176958Z","updated_at":"2022-09-04T14:38:53.176981Z","structure_string":"Cu2 Ag1 Se2 O10\n1.0\n5.039285 0.078822 2.332764\n1.378266 4.847781 2.332764\n0.052741 0.040488 7.888775\nCu Ag Se O\n2 1 2 10\ndirect\n0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Ag\n0.080740 0.080740 0.694551 Se\n0.919260 0.919259 0.305449 Se\n0.170776 0.170776 0.830911 O\n0.829224 0.829224 0.169089 O\n0.214976 0.214976 0.457757 O\n0.785024 0.785024 0.542243 O\n0.719945 0.189973 0.749223 O\n0.189973 0.719945 0.749223 O\n0.280055 0.810027 0.250777 O\n0.810027 0.280054 0.250777 O\n0.674251 0.674251 0.947211 O\n0.325748 0.325748 0.052789 O\n","nsites":15,"nelements":4,"elements":["Cu","Ag","Se","O"],"chemical_system":"Ag-Cu-O-Se","density":4.808454847297939,"density_atomic":0.07856360073920833,"volume":190.928112495664,"volume_molar":7.665306456600025,"formula_full":"Cu2 Ag1 Se2 O10","formula_reduced":"Cu2Ag(SeO5)2","formula_anonymous":"AB2C2D10","energy_above_hull":2.104972659555556,"spacegroup":12},{"id":"jvasp-118531","created_at":"2022-09-04T14:38:53.183098Z","updated_at":"2022-09-04T14:38:53.183115Z","structure_string":"Hf2 O2\n1.0\n3.036223 0.000000 -0.000000\n0.000000 3.036223 0.000000\n0.000000 -0.000000 5.468195\nHf O\n2 2\ndirect\n0.000000 0.000000 0.230318 Hf\n0.500000 0.500000 0.769681 Hf\n0.000000 0.000000 0.647782 O\n0.500000 0.500000 0.352217 O\n","nsites":4,"nelements":2,"elements":["Hf","O"],"chemical_system":"Hf-O","density":12.813379958580677,"density_atomic":0.0793503170338353,"volume":50.40937641489679,"volume_molar":7.589309009858316,"formula_full":"Hf2 O2","formula_reduced":"HfO","formula_anonymous":"AB","energy_above_hull":1.26313825,"spacegroup":129},{"id":"jvasp-120381","created_at":"2022-09-04T14:38:53.183647Z","updated_at":"2022-09-04T14:38:53.183673Z","structure_string":"As1 P1\n1.0\n4.123470 1.339571 -0.738196\n2.056957 -3.958232 -0.661470\n2.465815 2.732465 -2.492923\nAs P\n1 1\ndirect\n0.014745 0.596263 0.121888 As\n0.712547 0.096414 0.803799 P\n","nsites":2,"nelements":2,"elements":["As","P"],"chemical_system":"As-P","density":4.240084910683423,"density_atomic":0.04822569693904393,"volume":41.47166608142439,"volume_molar":12.487410534702766,"formula_full":"As1 P1","formula_reduced":"AsP","formula_anonymous":"AB","energy_above_hull":1.855348625,"spacegroup":38},{"id":"jvasp-117921","created_at":"2022-09-04T14:38:53.186263Z","updated_at":"2022-09-04T14:38:53.186298Z","structure_string":"Sn1 C1 N1\n1.0\n4.013679 -0.000000 -0.000000\n-2.006840 3.475948 0.000000\n0.000000 0.000000 3.225827\nSn C N\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.000000 C\n0.333333 0.666667 0.000000 N\n","nsites":3,"nelements":3,"elements":["Sn","C","N"],"chemical_system":"C-N-Sn","density":5.340019931461602,"density_atomic":0.06665984125932041,"volume":45.00460762169215,"volume_molar":9.034136064879966,"formula_full":"Sn1 C1 N1","formula_reduced":"SnCN","formula_anonymous":"ABC","energy_above_hull":4.272541649999999,"spacegroup":187},{"id":"jvasp-122475","created_at":"2022-09-04T14:38:53.186482Z","updated_at":"2022-09-04T14:38:53.186507Z","structure_string":"Na1 Ca3 Mg1 Fe1 Si4 O14\n1.0\n5.045765 -0.015534 0.114643\n0.071789 7.804254 0.050435\n0.073210 -0.010486 7.886187\nNa Ca Mg Fe Si O\n1 3 1 1 4 14\ndirect\n0.507566 0.816350 0.334540 Na\n0.511199 0.345909 0.183099 Ca\n0.504116 0.160634 0.653626 Ca\n0.479771 0.653803 0.827007 Ca\n0.996841 0.493908 0.501405 Mg\n0.006703 0.010816 0.000879 Fe\n0.951684 0.637359 0.136866 Si\n0.067394 0.143156 0.362805 Si\n0.928110 0.361390 0.853525 Si\n0.052176 0.859421 0.642192 Si\n0.819898 0.825860 0.091785 O\n0.231701 0.309095 0.429765 O\n0.775346 0.187332 0.930222 O\n0.190419 0.674541 0.606029 O\n0.210061 0.933957 0.810535 O\n0.766673 0.410158 0.683721 O\n0.750478 0.161228 0.368975 O\n0.801206 0.568850 0.309123 O\n0.734816 0.868302 0.663432 O\n0.245146 0.350941 0.840621 O\n0.174928 0.984983 0.486472 O\n0.270302 0.623894 0.121177 O\n0.207363 0.106028 0.173323 O\n0.816118 0.512080 0.988885 O\n","nsites":24,"nelements":6,"elements":["Na","Ca","Mg","Fe","Si","O"],"chemical_system":"Ca-Fe-Mg-Na-O-Si","density":2.9933700928486573,"density_atomic":0.07729680347211793,"volume":310.49149411019494,"volume_molar":7.790931176309603,"formula_full":"Na1 Ca3 Mg1 Fe1 Si4 O14","formula_reduced":"NaCa3MgFe(Si2O7)2","formula_anonymous":"ABCD3E4F14","energy_above_hull":2.368621175416666,"spacegroup":1},{"id":"jvasp-121204","created_at":"2022-09-04T14:38:53.190659Z","updated_at":"2022-09-04T14:38:53.190689Z","structure_string":"Li2 Te2\n1.0\n4.046312 0.000000 -0.000000\n-0.000000 4.046312 -0.000000\n-0.000000 -0.000000 5.720412\nLi Te\n2 2\ndirect\n0.000000 0.000000 0.249601 Li\n0.500000 0.500000 0.750399 Li\n0.000000 0.000000 0.749615 Te\n0.500000 0.500000 0.250385 Te\n","nsites":4,"nelements":2,"elements":["Li","Te"],"chemical_system":"Li-Te","density":4.7707614520810315,"density_atomic":0.042708463601047277,"volume":93.65825091169783,"volume_molar":14.100579258141067,"formula_full":"Li2 Te2","formula_reduced":"LiTe","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":225},{"id":"jvasp-119181","created_at":"2022-09-04T14:38:53.191893Z","updated_at":"2022-09-04T14:38:53.191922Z","structure_string":"K4 S2 O8\n1.0\n5.744561 -0.038163 0.004653\n-2.698538 5.071423 0.004653\n-0.006769 -0.011185 7.858863\nK S O\n4 2 8\ndirect\n0.308753 0.691246 0.249999 K\n0.691246 0.308755 0.749999 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.651071 0.348930 0.249999 S\n0.348929 0.651071 0.749999 S\n0.738040 0.261977 0.095419 O\n0.261960 0.738024 0.904580 O\n0.261976 0.738040 0.595419 O\n0.738023 0.261961 0.404580 O\n0.355273 0.230512 0.249981 O\n0.644727 0.769489 0.750018 O\n0.230511 0.355274 0.749981 O\n0.769488 0.644727 0.250018 O\n","nsites":14,"nelements":3,"elements":["K","S","O"],"chemical_system":"K-O-S","density":2.5366771675046316,"density_atomic":0.06136467331118868,"volume":228.14429287358996,"volume_molar":9.81369318053874,"formula_full":"K4 S2 O8","formula_reduced":"K2SO4","formula_anonymous":"AB2C4","energy_above_hull":1.2937814285714282,"spacegroup":63},{"id":"jvasp-118535","created_at":"2022-09-04T14:38:53.192053Z","updated_at":"2022-09-04T14:38:53.192085Z","structure_string":"Hf1 O3\n1.0\n4.455251 1.560774 0.287861\n0.222439 -3.050018 0.045667\n-1.525584 -1.582661 -3.073204\nHf O\n1 3\ndirect\n0.063604 0.778345 0.069334 Hf\n0.460307 0.406767 0.186148 O\n0.051628 0.074547 0.467767 O\n0.679592 0.299331 0.686509 O\n","nsites":4,"nelements":2,"elements":["Hf","O"],"chemical_system":"Hf-O","density":9.040692607276139,"density_atomic":0.09615392495984004,"volume":41.59996590540275,"volume_molar":6.263021257338405,"formula_full":"Hf1 O3","formula_reduced":"HfO3","formula_anonymous":"AB3","energy_above_hull":2.5581358750000005,"spacegroup":1},{"id":"jvasp-118536","created_at":"2022-09-04T14:38:53.194050Z","updated_at":"2022-09-04T14:38:53.194093Z","structure_string":"Hf2 Si1\n1.0\n2.760640 -0.000000 0.000000\n-0.000000 2.760640 0.000000\n0.000000 -0.000000 8.220723\nHf Si\n2 1\ndirect\n0.000000 0.000000 0.314328 Hf\n0.000000 0.000000 0.685672 Hf\n0.000000 0.000000 0.000000 Si\n","nsites":3,"nelements":2,"elements":["Hf","Si"],"chemical_system":"Hf-Si","density":10.20596652842496,"density_atomic":0.04788413948842225,"volume":62.65122506222254,"volume_molar":12.576483203704795,"formula_full":"Hf2 Si1","formula_reduced":"Hf2Si","formula_anonymous":"AB2","energy_above_hull":4.3236848666666665,"spacegroup":123},{"id":"jvasp-120382","created_at":"2022-09-04T14:38:53.194194Z","updated_at":"2022-09-04T14:38:53.194211Z","structure_string":"As1 P2\n1.0\n4.899932 -0.000000 0.000000\n-2.449966 4.243465 -0.000000\n0.000000 -0.000000 2.570788\nAs P\n1 2\ndirect\n0.000000 0.000000 0.000000 As\n0.333332 0.666667 0.000000 P\n0.666666 0.333333 0.000000 P\n","nsites":3,"nelements":2,"elements":["As","P"],"chemical_system":"As-P","density":4.251847149327176,"density_atomic":0.05612344395241752,"volume":53.453597796732765,"volume_molar":10.730169668678354,"formula_full":"As1 P2","formula_reduced":"AsP2","formula_anonymous":"AB2","energy_above_hull":2.598067583333334,"spacegroup":191},{"id":"jvasp-120732","created_at":"2022-09-04T14:38:53.194381Z","updated_at":"2022-09-04T14:38:53.194414Z","structure_string":"Y4 Fe1 S7\n1.0\n6.266710 -0.011021 1.584214\n5.126527 3.604234 1.584214\n0.054726 0.017260 11.394068\nY Fe S\n4 1 7\ndirect\n0.691631 0.691629 0.212934 Y\n0.304953 0.304952 0.800228 Y\n0.997476 0.997474 0.007497 Y\n0.113161 0.113160 0.563111 Y\n0.888624 0.888622 0.424370 Fe\n0.747172 0.747171 0.635404 S\n0.274280 0.274279 0.353856 S\n0.335057 0.335057 0.053972 S\n0.658708 0.658706 0.947446 S\n0.030101 0.030101 0.229147 S\n0.964349 0.964347 0.783695 S\n0.494498 0.494497 0.488338 S\n","nsites":12,"nelements":3,"elements":["Y","Fe","S"],"chemical_system":"Fe-S-Y","density":4.09843442124458,"density_atomic":0.04657419240536205,"volume":257.653420923697,"volume_molar":12.93020973415027,"formula_full":"Y4 Fe1 S7","formula_reduced":"Y4FeS7","formula_anonymous":"AB4C7","energy_above_hull":2.722168941666667,"spacegroup":8}]}