{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4567","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4565","results":[{"id":"jvasp-87978","created_at":"2022-09-04T14:35:51.711218Z","updated_at":"2022-09-04T14:35:51.711234Z","structure_string":"Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n","nsites":28,"nelements":3,"elements":["Hg","Te","I"],"chemical_system":"Hg-I-Te","density":7.249664276187882,"density_atomic":0.027513079357017755,"volume":1017.6977879016674,"volume_molar":21.88828332101595,"formula_full":"Hg12 Te8 I8","formula_reduced":"Hg3(TeI)2","formula_anonymous":"A2B2C3","energy_above_hull":0.0,"spacegroup":15},{"id":"jvasp-94988","created_at":"2022-09-04T14:36:03.872107Z","updated_at":"2022-09-04T14:36:03.872132Z","structure_string":"Co3 Sn2 S2\n1.0\n4.665693 -0.009032 2.689116\n1.549641 4.400840 2.689116\n-0.012783 -0.009032 5.385153\nCo Sn S\n3 2 2\ndirect\n-0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.499999 Co\n0.500000 0.500001 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.719089 0.719090 0.719090 S\n0.280910 0.280911 0.280911 S\n","nsites":7,"nelements":3,"elements":["Co","Sn","S"],"chemical_system":"Co-S-Sn","density":7.164034198425009,"density_atomic":0.06313369260494894,"volume":110.87582099468838,"volume_molar":9.538711441579666,"formula_full":"Co3 Sn2 S2","formula_reduced":"Co3(SnS)2","formula_anonymous":"A2B2C3","energy_above_hull":2.305806585714286,"spacegroup":166},{"id":"jvasp-112035","created_at":"2022-09-04T14:38:41.176693Z","updated_at":"2022-09-04T14:38:41.176717Z","structure_string":"C6 S4 O4\n1.0\n4.414116 -0.089355 -0.200820\n-0.344800 5.024310 -0.371853\n-0.302712 -0.047335 10.424219\nC S O\n6 4 4\ndirect\n0.669943 0.150463 0.204693 C\n0.669945 0.650464 0.704693 C\n0.159960 0.612603 0.804055 C\n0.159961 0.112605 0.304055 C\n0.369931 0.264249 0.223772 C\n0.369934 0.764247 0.723773 C\n0.250384 0.380097 0.892045 S\n0.250383 0.880100 0.392046 S\n0.722035 0.971397 0.074114 S\n0.722037 0.471397 0.574114 S\n0.303338 0.468002 0.175405 O\n0.303340 0.968000 0.675406 O\n0.872379 0.216352 0.308622 O\n0.872379 0.716348 0.808623 O\n","nsites":14,"nelements":3,"elements":["C","S","O"],"chemical_system":"C-O-S","density":1.9044456167695119,"density_atomic":0.0607455586678063,"volume":230.46952414349374,"volume_molar":9.913713680588128,"formula_full":"C6 S4 O4","formula_reduced":"C3(SO)2","formula_anonymous":"A2B2C3","energy_above_hull":4.347975285714286,"spacegroup":1},{"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-59041","created_at":"2022-09-04T14:38:36.014975Z","updated_at":"2022-09-04T14:38:36.014987Z","structure_string":"Na8 Mn8 Se12\n1.0\n6.817322 0.014772 2.446672\n3.361555 9.779207 1.144312\n0.060287 -0.145229 10.402773\nNa Mn Se\n8 8 12\ndirect\n0.356929 0.191133 0.021843 Na\n0.143070 0.978158 0.808866 Na\n0.643070 0.808867 0.978157 Na\n0.856929 0.021842 0.191133 Na\n0.250000 0.280349 0.719651 Na\n0.749999 0.719651 0.280349 Na\n0.250000 0.569458 0.430542 Na\n0.750000 0.430542 0.569458 Na\n0.203089 0.634161 0.786428 Mn\n0.296911 0.213571 0.365839 Mn\n0.703089 0.786429 0.634160 Mn\n0.796910 0.365839 0.213571 Mn\n0.758040 0.082224 0.554881 Mn\n0.258040 0.554882 0.082225 Mn\n0.241959 0.917775 0.445118 Mn\n0.741960 0.445118 0.917775 Mn\n0.566425 0.279676 0.429950 Se\n0.450566 0.996240 0.224757 Se\n0.049433 0.775243 0.003760 Se\n0.549434 0.003759 0.775243 Se\n0.950567 0.224757 0.996240 Se\n0.448764 0.413697 0.852378 Se\n0.051236 0.147622 0.586303 Se\n0.551236 0.586303 0.147622 Se\n0.948763 0.852378 0.413697 Se\n0.433575 0.720324 0.570050 Se\n0.066424 0.429950 0.279676 Se\n0.933575 0.570050 0.720324 Se\n","nsites":28,"nelements":3,"elements":["Na","Mn","Se"],"chemical_system":"Mn-Na-Se","density":3.7723267005045713,"density_atomic":0.04049094738871505,"volume":691.512592461684,"volume_molar":14.872807746845629,"formula_full":"Na8 Mn8 Se12","formula_reduced":"Na2Mn2Se3","formula_anonymous":"A2B2C3","energy_above_hull":1.7328632261083747,"spacegroup":15},{"id":"jvasp-12474","created_at":"2022-09-04T14:38:33.289106Z","updated_at":"2022-09-04T14:38:33.289122Z","structure_string":"Hg6 Cl4 O4\n1.0\n0.000000 6.376379 -0.002578\n7.039711 0.000000 0.000000\n0.000000 -2.752960 -6.337338\nHg Cl O\n6 4 4\ndirect\n0.417201 0.865823 0.757809 Hg\n0.582799 0.365823 0.742192 Hg\n0.582799 0.134177 0.242192 Hg\n0.417201 0.634177 0.257809 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.788076 0.627250 0.049993 Cl\n0.211925 0.127250 0.450007 Cl\n0.788076 0.872750 0.549993 Cl\n0.211925 0.372750 0.950007 Cl\n0.329455 0.605015 0.561922 O\n0.670545 0.105015 0.938079 O\n0.670545 0.394985 0.438079 O\n0.329455 0.894985 0.061922 O\n","nsites":14,"nelements":3,"elements":["Hg","Cl","O"],"chemical_system":"Cl-Hg-O","density":8.225375647643054,"density_atomic":0.04920575984804688,"volume":284.51953680287903,"volume_molar":12.238690711406697,"formula_full":"Hg6 Cl4 O4","formula_reduced":"Hg3(ClO)2","formula_anonymous":"A2B2C3","energy_above_hull":0.229200014285714,"spacegroup":14},{"id":"jvasp-112874","created_at":"2022-09-04T14:38:41.715666Z","updated_at":"2022-09-04T14:38:41.715714Z","structure_string":"Bi4 Pt6 Se4\n1.0\n7.075047 -0.000000 -2.501407\n-3.537524 6.127171 -2.501407\n-0.000000 -0.000000 7.504221\nBi Pt Se\n4 6 4\ndirect\n0.034920 0.500000 -0.000000 Bi\n0.000000 0.034919 0.500000 Bi\n0.500000 0.000000 0.034919 Bi\n0.465081 0.465081 0.465080 Bi\n0.546182 0.750000 0.296181 Pt\n0.250000 0.203819 0.953819 Pt\n0.296181 0.546181 0.750000 Pt\n0.953819 0.250000 0.203819 Pt\n0.750000 0.296181 0.546181 Pt\n0.203819 0.953819 0.250000 Pt\n0.567559 0.500000 -0.000000 Se\n0.000000 0.567558 0.500000 Se\n0.500000 0.000000 0.567558 Se\n0.932442 0.932442 0.932441 Se\n","nsites":14,"nelements":3,"elements":["Bi","Pt","Se"],"chemical_system":"Bi-Pt-Se","density":11.854030507678118,"density_atomic":0.04303611802256305,"volume":325.30815146152486,"volume_molar":13.99322484626216,"formula_full":"Bi4 Pt6 Se4","formula_reduced":"Bi2Pt3Se2","formula_anonymous":"A2B2C3","energy_above_hull":1.9856585047619049,"spacegroup":199},{"id":"jvasp-110280","created_at":"2022-09-04T14:38:37.106993Z","updated_at":"2022-09-04T14:38:37.107001Z","structure_string":"Bi2 Sb2 Te3\n1.0\n4.420726 0.021311 13.577788\n2.172392 3.850193 13.577788\n0.036293 0.021311 14.279280\nBi Sb Te\n2 2 3\ndirect\n0.853592 0.853590 0.853593 Bi\n0.146408 0.146408 0.146409 Bi\n0.712737 0.712735 0.712737 Sb\n0.287264 0.287263 0.287264 Sb\n0.580585 0.580583 0.580585 Te\n0.419416 0.419415 0.419416 Te\n0.000000 0.000000 0.000000 Te\n","nsites":7,"nelements":3,"elements":["Bi","Sb","Te"],"chemical_system":"Bi-Sb-Te","density":7.229982116504306,"density_atomic":0.029185616559303487,"volume":239.84417069882366,"volume_molar":20.63393366305405,"formula_full":"Bi2 Sb2 Te3","formula_reduced":"Bi2Sb2Te3","formula_anonymous":"A2B2C3","energy_above_hull":1.2502163000000002,"spacegroup":166},{"id":"jvasp-56677","created_at":"2022-09-04T14:38:31.035707Z","updated_at":"2022-09-04T14:38:31.035717Z","structure_string":"Na8 Mn8 O12\n1.0\n6.378173 -0.000000 0.000000\n-0.000000 6.378173 -0.000000\n0.000000 -0.000000 9.456884\nNa Mn O\n8 8 12\ndirect\n0.523992 0.735293 0.362011 Na\n0.476008 0.264706 0.862010 Na\n0.235293 0.976007 0.612011 Na\n0.764706 0.023992 0.112011 Na\n0.023992 0.764706 0.887989 Na\n0.976007 0.235293 0.387989 Na\n0.264706 0.476008 0.137989 Na\n0.735293 0.523992 0.637989 Na\n0.240357 0.460074 0.616312 Mn\n0.039926 0.740357 0.366312 Mn\n0.259643 0.960074 0.133687 Mn\n0.539925 0.759642 0.883687 Mn\n0.960074 0.259643 0.866312 Mn\n0.740357 0.039926 0.633687 Mn\n0.460074 0.240357 0.383687 Mn\n0.759642 0.539925 0.116312 Mn\n0.755618 0.505991 0.895954 O\n0.185847 0.185847 0.000000 O\n0.685846 0.314153 0.250000 O\n0.814153 0.814153 0.500000 O\n0.744381 0.005991 0.854045 O\n0.255619 0.994009 0.354045 O\n0.314153 0.685846 0.750000 O\n0.244381 0.494009 0.395954 O\n0.994009 0.255619 0.645954 O\n0.505991 0.755618 0.104046 O\n0.494009 0.244381 0.604045 O\n0.005991 0.744381 0.145954 O\n","nsites":28,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":3.5195513802836054,"density_atomic":0.0727808929899224,"volume":384.71635685861975,"volume_molar":8.274343048846427,"formula_full":"Na8 Mn8 O12","formula_reduced":"Na2Mn2O3","formula_anonymous":"A2B2C3","energy_above_hull":2.124118997536945,"spacegroup":96},{"id":"jvasp-10263","created_at":"2022-09-04T14:38:32.118009Z","updated_at":"2022-09-04T14:38:32.118041Z","structure_string":"K4 Sn4 O6\n1.0\n6.827227 0.000000 -2.413789\n-3.413614 5.912552 -2.413789\n-0.000000 -0.000000 7.241368\nK Sn O\n4 4 6\ndirect\n0.474906 0.500000 -0.000000 K\n0.025095 0.025095 0.025095 K\n0.000000 0.474905 0.500000 K\n0.500000 0.000000 0.474906 K\n0.500000 -0.000000 0.002036 Sn\n0.000000 0.002036 0.500000 Sn\n0.497964 0.497964 0.497964 Sn\n0.002036 0.500000 -0.000000 Sn\n0.750001 0.975586 0.225587 O\n0.250000 0.524413 0.274413 O\n0.975587 0.225587 0.750000 O\n0.225587 0.750000 0.975587 O\n0.274414 0.250000 0.524414 O\n0.524414 0.274413 0.250000 O\n","nsites":14,"nelements":3,"elements":["K","Sn","O"],"chemical_system":"K-O-Sn","density":4.131242705507656,"density_atomic":0.04789477096757769,"volume":292.30748403572665,"volume_molar":12.573691529032848,"formula_full":"K4 Sn4 O6","formula_reduced":"K2Sn2O3","formula_anonymous":"A2B2C3","energy_above_hull":0.7801542714285715,"spacegroup":199},{"id":"jvasp-17494","created_at":"2022-09-04T14:38:32.774317Z","updated_at":"2022-09-04T14:38:32.774344Z","structure_string":"Ni3 Pb2 Se2\n1.0\n4.963026 -0.016815 3.032159\n1.692534 4.665537 3.032159\n-0.024074 -0.016815 5.815929\nNi Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000001 0.500000 Ni\n0.500001 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.779183 0.779181 0.779182 Se\n0.220818 0.220818 0.220818 Se\n","nsites":7,"nelements":3,"elements":["Ni","Pb","Se"],"chemical_system":"Ni-Pb-Se","density":9.182212493997573,"density_atomic":0.05172046092763651,"volume":135.34295469241638,"volume_molar":11.643633200457629,"formula_full":"Ni3 Pb2 Se2","formula_reduced":"Ni3(PbSe)2","formula_anonymous":"A2B2C3","energy_above_hull":1.0053079390476192,"spacegroup":166},{"id":"jvasp-35387","created_at":"2022-09-04T14:37:51.185066Z","updated_at":"2022-09-04T14:37:51.185077Z","structure_string":"Tm2 Cr2 C3\n1.0\n0.000000 3.322655 -0.000000\n0.026613 -0.000000 5.480386\n4.987255 -1.661328 -1.475923\nTm Cr C\n2 2 3\ndirect\n0.607445 0.316263 0.214891 Tm\n0.392553 0.683739 0.785109 Tm\n0.844539 0.114388 0.689083 Cr\n0.155459 0.885614 0.310917 Cr\n0.282354 0.235179 0.564711 C\n0.717644 0.764822 0.435290 C\n0.000000 0.000000 0.000000 C\n","nsites":7,"nelements":3,"elements":["Tm","Cr","C"],"chemical_system":"C-Cr-Tm","density":8.72565156105939,"density_atomic":0.07696909749765758,"volume":90.94559021187735,"volume_molar":7.824102082245766,"formula_full":"Tm2 Cr2 C3","formula_reduced":"Tm2Cr2C3","formula_anonymous":"A2B2C3","energy_above_hull":4.889127614285715,"spacegroup":12}]}