{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=81","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=79","results":[{"id":"jvasp-94987","created_at":"2022-09-04T14:36:01.915092Z","updated_at":"2022-09-04T14:36:01.915122Z","structure_string":"In2 Co3 S2\n1.0\n4.651979 -0.011367 2.900037\n1.603879 4.366761 2.900037\n-0.016327 -0.011367 5.481866\nIn Co S\n2 3 2\ndirect\n0.500000 0.499999 0.500001 In\n0.000000 0.000000 0.000000 In\n0.500000 -0.000000 0.000000 Co\n-0.000000 -0.000000 0.500001 Co\n0.000000 0.500000 0.000000 Co\n0.277890 0.277889 0.277890 S\n0.722110 0.722109 0.722112 S\n","nsites":7,"nelements":3,"elements":["In","Co","S"],"chemical_system":"Co-In-S","density":6.991276676267073,"density_atomic":0.06263041224273654,"volume":111.76678788046479,"volume_molar":9.6153618415603,"formula_full":"In2 Co3 S2","formula_reduced":"In2Co3S2","formula_anonymous":"A2B2C3","energy_above_hull":2.011690377142857,"spacegroup":166},{"id":"jvasp-20917","created_at":"2022-09-04T14:38:35.612263Z","updated_at":"2022-09-04T14:38:35.612284Z","structure_string":"Li4 Ce4 Ge6\n1.0\n4.289425 0.000000 -1.019552\n0.000000 6.839396 -0.000000\n0.000802 0.000000 9.536317\nLi Ce Ge\n4 4 6\ndirect\n0.691477 0.063172 0.382953 Li\n0.308523 0.936828 0.617047 Li\n0.308523 0.563173 0.617047 Li\n0.691477 0.436828 0.382953 Li\n0.156310 0.750000 0.312619 Ce\n0.843691 0.250000 0.687381 Ce\n0.949718 0.750000 0.899436 Ce\n0.050282 0.250000 0.100564 Ce\n0.220528 0.250000 0.441056 Ge\n0.779472 0.750000 0.558945 Ge\n0.564087 0.561906 0.128172 Ge\n0.435914 0.438094 0.871828 Ge\n0.435914 0.061906 0.871828 Ge\n0.564087 0.938095 0.128172 Ge\n","nsites":14,"nelements":3,"elements":["Li","Ce","Ge"],"chemical_system":"Ce-Ge-Li","density":6.078154061858184,"density_atomic":0.05004052374234441,"volume":279.77325081738036,"volume_molar":12.034527837893213,"formula_full":"Li4 Ce4 Ge6","formula_reduced":"Li2Ce2Ge3","formula_anonymous":"A2B2C3","energy_above_hull":1.23618555,"spacegroup":63},{"id":"jvasp-94832","created_at":"2022-09-04T14:35:40.729984Z","updated_at":"2022-09-04T14:35:40.730010Z","structure_string":"Rh3 Pb2 Se2\n1.0\n2.910142 1.680171 4.898367\n-2.910142 1.680171 4.898367\n0.000000 -3.360342 4.898367\nRh Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.787895 0.787895 0.787895 Se\n0.212106 0.212106 0.212106 Se\n","nsites":7,"nelements":3,"elements":["Rh","Pb","Se"],"chemical_system":"Pb-Rh-Se","density":10.180585652188515,"density_atomic":0.04871108505326612,"volume":143.70445643625925,"volume_molar":12.362978064263446,"formula_full":"Rh3 Pb2 Se2","formula_reduced":"Rh3(PbSe)2","formula_anonymous":"A2B2C3","energy_above_hull":1.9072596247619047,"spacegroup":166},{"id":"jvasp-50442","created_at":"2022-09-04T14:37:18.105482Z","updated_at":"2022-09-04T14:37:18.105492Z","structure_string":"K4 Sr4 O6\n1.0\n0.000000 7.067478 0.017058\n7.113789 0.000000 0.000000\n0.000000 -3.426015 -6.241302\nK Sr O\n4 4 6\ndirect\n0.902783 0.345334 0.115886 K\n0.402783 0.154666 0.115887 K\n0.597216 0.845334 0.884113 K\n0.097216 0.654666 0.884113 K\n0.581334 0.621865 0.341345 Sr\n0.918665 0.121865 0.658654 Sr\n0.081334 0.878135 0.341345 Sr\n0.418665 0.378135 0.658654 Sr\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.736481 0.923099 0.342472 O\n0.763518 0.423099 0.657527 O\n0.236481 0.576901 0.342473 O\n0.263518 0.076901 0.657527 O\n","nsites":14,"nelements":3,"elements":["K","Sr","O"],"chemical_system":"K-O-Sr","density":3.1945347093753904,"density_atomic":0.04467485632862814,"volume":313.3753782444432,"volume_molar":13.479933132187705,"formula_full":"K4 Sr4 O6","formula_reduced":"K2Sr2O3","formula_anonymous":"A2B2C3","energy_above_hull":0.383601302857143,"spacegroup":14},{"id":"jvasp-24628","created_at":"2022-09-04T14:37:18.173195Z","updated_at":"2022-09-04T14:37:18.173205Z","structure_string":"Hg6 Se4 Cl4\n1.0\n7.499708 -0.000000 -2.651548\n-3.749854 6.494937 -2.651548\n0.000000 0.000000 7.954642\nHg Se Cl\n6 4 4\ndirect\n0.750001 0.940205 0.190205 Hg\n0.309795 0.250000 0.559795 Hg\n0.559795 0.309795 0.250000 Hg\n0.190206 0.750000 0.940205 Hg\n0.940205 0.190205 0.750000 Hg\n0.250000 0.559795 0.309795 Hg\n0.947195 0.500000 -0.000000 Se\n0.500000 -0.000000 0.947194 Se\n0.552806 0.552806 0.552806 Se\n0.000001 0.947195 0.500000 Se\n0.468501 0.500000 -0.000000 Cl\n0.500000 -0.000000 0.468500 Cl\n0.000000 0.468500 0.500000 Cl\n0.031500 0.031500 0.031500 Cl\n","nsites":14,"nelements":3,"elements":["Hg","Se","Cl"],"chemical_system":"Cl-Hg-Se","density":7.119163909767298,"density_atomic":0.03613167535247284,"volume":387.4716537062499,"volume_molar":16.667205993778666,"formula_full":"Hg6 Se4 Cl4","formula_reduced":"Hg3(SeCl)2","formula_anonymous":"A2B2C3","energy_above_hull":0.0,"spacegroup":199},{"id":"jvasp-24629","created_at":"2022-09-04T14:37:18.532430Z","updated_at":"2022-09-04T14:37:18.532452Z","structure_string":"Hg6 Te4 Cl4\n1.0\n7.708041 -0.000000 -2.725204\n-3.854020 6.675359 -2.725204\n-0.000000 -0.000000 8.175611\nHg Te Cl\n6 4 4\ndirect\n0.250000 0.564261 0.314261 Hg\n0.935739 0.185739 0.750000 Hg\n0.185739 0.750000 0.935740 Hg\n0.564261 0.314261 0.250000 Hg\n0.314261 0.250000 0.564261 Hg\n0.750000 0.935739 0.185740 Hg\n0.571057 0.571057 0.571057 Te\n0.000000 0.928944 0.500000 Te\n0.500000 0.000000 0.928944 Te\n0.928943 0.500000 1.000001 Te\n0.044696 0.044696 0.044696 Cl\n0.000000 0.455305 0.500000 Cl\n0.500000 0.000000 0.455305 Cl\n0.455304 0.500000 1.000000 Cl\n","nsites":14,"nelements":3,"elements":["Hg","Te","Cl"],"chemical_system":"Cl-Hg-Te","density":7.325380236284051,"density_atomic":0.03328044872705916,"volume":420.6674049024193,"volume_molar":18.095130896187737,"formula_full":"Hg6 Te4 Cl4","formula_reduced":"Hg3(TeCl)2","formula_anonymous":"A2B2C3","energy_above_hull":0.0,"spacegroup":199},{"id":"jvasp-86133","created_at":"2022-09-04T14:36:02.930498Z","updated_at":"2022-09-04T14:36:02.930519Z","structure_string":"Tb2 B2 C3\n1.0\n3.287461 0.000000 -0.818806\n0.000000 3.708363 0.000000\n-0.042094 0.000000 6.839889\nTb B C\n2 2 3\ndirect\n0.863692 0.000000 0.727383 Tb\n0.136308 0.000000 0.272617 Tb\n0.716779 0.500000 0.433557 B\n0.283222 0.500000 0.566443 B\n0.399418 0.500000 0.798833 C\n0.500000 0.500000 -0.000000 C\n0.600583 0.500000 0.201167 C\n","nsites":7,"nelements":3,"elements":["Tb","B","C"],"chemical_system":"B-C-Tb","density":7.489259765209952,"density_atomic":0.08407605856681317,"volume":83.2579466654859,"volume_molar":7.162729631544696,"formula_full":"Tb2 B2 C3","formula_reduced":"Tb2B2C3","formula_anonymous":"A2B2C3","energy_above_hull":4.817214566666667,"spacegroup":65},{"id":"jvasp-17205","created_at":"2022-09-04T14:37:42.459551Z","updated_at":"2022-09-04T14:37:42.459582Z","structure_string":"Ce2 Mo2 C3\n1.0\n3.240039 -0.000000 -0.898720\n-0.632598 5.263485 -2.280625\n-0.004043 -0.023164 6.275235\nCe Mo C\n2 2 3\ndirect\n0.395737 0.192643 0.791472 Ce\n0.604264 0.807357 0.208528 Ce\n0.158438 0.325655 0.316875 Mo\n0.841563 0.674345 0.683125 Mo\n0.000000 0.000000 0.000000 C\n0.251982 0.738727 0.503964 C\n0.748018 0.261272 0.496036 C\n","nsites":7,"nelements":3,"elements":["Ce","Mo","C"],"chemical_system":"C-Ce-Mo","density":7.899667773733959,"density_atomic":0.06553463459473668,"volume":106.81374884116917,"volume_molar":9.189249008925824,"formula_full":"Ce2 Mo2 C3","formula_reduced":"Ce2Mo2C3","formula_anonymous":"A2B2C3","energy_above_hull":5.562536114285714,"spacegroup":12},{"id":"jvasp-15223","created_at":"2022-09-04T14:36:20.317493Z","updated_at":"2022-09-04T14:36:20.317524Z","structure_string":"Dy2 Al3 Si2\n1.0\n4.056778 0.000000 0.000000\n-2.028389 5.014205 -0.971042\n0.000000 0.001302 6.643514\nDy Al Si\n2 3 2\ndirect\n0.380529 0.761056 0.678519 Dy\n0.619472 0.238944 0.321481 Dy\n0.694765 0.389530 0.866249 Al\n0.000000 0.000000 0.000000 Al\n0.305236 0.610471 0.133751 Al\n0.906322 0.812644 0.361006 Si\n0.093678 0.187357 0.638994 Si\n","nsites":7,"nelements":3,"elements":["Dy","Al","Si"],"chemical_system":"Al-Dy-Si","density":5.678087448243887,"density_atomic":0.05179649527634831,"volume":135.14427882915837,"volume_molar":11.626541000255425,"formula_full":"Dy2 Al3 Si2","formula_reduced":"Dy2Al3Si2","formula_anonymous":"A2B2C3","energy_above_hull":2.2286240857142854,"spacegroup":12},{"id":"jvasp-94860","created_at":"2022-09-04T14:36:32.217566Z","updated_at":"2022-09-04T14:36:32.217594Z","structure_string":"Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n","nsites":7,"nelements":3,"elements":["Tl","Pd","S"],"chemical_system":"Pd-S-Tl","density":9.082899054615538,"density_atomic":0.048335073701674426,"volume":144.82237149785303,"volume_molar":12.459152947958328,"formula_full":"Tl2 Pd3 S2","formula_reduced":"Tl2Pd3S2","formula_anonymous":"A2B2C3","energy_above_hull":1.1701074714285715,"spacegroup":166},{"id":"jvasp-18251","created_at":"2022-09-04T14:38:11.725212Z","updated_at":"2022-09-04T14:38:11.725239Z","structure_string":"Ni3 Pb2 S2\n1.0\n4.895234 -0.023031 2.757033\n1.600769 4.626164 2.757033\n-0.032502 -0.023031 5.618140\nNi Pb S\n3 2 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.727617 0.727617 0.727617 S\n0.272382 0.272382 0.272382 S\n","nsites":7,"nelements":3,"elements":["Ni","Pb","S"],"chemical_system":"Ni-Pb-S","density":8.48810845803849,"density_atomic":0.054660939833634424,"volume":128.06219617344928,"volume_molar":11.017265305589214,"formula_full":"Ni3 Pb2 S2","formula_reduced":"Ni3(PbS)2","formula_anonymous":"A2B2C3","energy_above_hull":1.1527084057142858,"spacegroup":166},{"id":"jvasp-54875","created_at":"2022-09-04T14:37:07.270473Z","updated_at":"2022-09-04T14:37:07.270482Z","structure_string":"Li4 Nd4 Si6\n1.0\n4.296326 -0.000000 -1.021516\n0.000000 6.823906 0.000000\n-0.002697 0.000000 9.534235\nLi Nd Si\n4 4 6\ndirect\n0.188553 0.061380 0.377106 Li\n0.188553 0.438620 0.377106 Li\n0.811448 0.938620 0.622894 Li\n0.811448 0.561381 0.622894 Li\n0.341650 0.250000 0.683303 Nd\n0.658350 0.750000 0.316697 Nd\n0.552071 0.250000 0.104140 Nd\n0.447930 0.750000 0.895860 Nd\n0.719945 0.250000 0.439888 Si\n0.280055 0.750000 0.560112 Si\n0.058499 0.926458 0.117000 Si\n0.941501 0.073542 0.883000 Si\n0.941501 0.426458 0.883000 Si\n0.058499 0.573543 0.117000 Si\n","nsites":14,"nelements":3,"elements":["Li","Nd","Si"],"chemical_system":"Li-Nd-Si","density":4.593876471728838,"density_atomic":0.050088858070739685,"volume":279.5032775598123,"volume_molar":12.022914859618137,"formula_full":"Li4 Nd4 Si6","formula_reduced":"Li2Nd2Si3","formula_anonymous":"A2B2C3","energy_above_hull":2.2026912571428565,"spacegroup":63}]}