{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3411","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3409","results":[{"id":"jvasp-112730","created_at":"2022-09-04T14:38:41.215398Z","updated_at":"2022-09-04T14:38:41.215415Z","structure_string":"Mg4 Nb2 N6\n1.0\n5.227495 0.005799 2.236486\n1.576906 4.983986 2.236486\n0.006352 0.004658 5.740155\nMg Nb N\n4 2 6\ndirect\n0.754382 0.915862 0.077216 Mg\n0.084139 0.245620 0.422784 Mg\n0.245619 0.084140 0.922783 Mg\n0.915862 0.754381 0.577216 Mg\n0.410700 0.589301 0.750000 Nb\n0.589301 0.410700 0.250000 Nb\n0.096410 0.903591 0.750000 N\n0.903591 0.096410 0.250000 N\n0.729148 0.587464 0.424455 N\n0.412538 0.270853 0.075545 N\n0.270853 0.412538 0.575545 N\n0.587463 0.729148 0.924454 N\n","nsites":12,"nelements":3,"elements":["Mg","Nb","N"],"chemical_system":"Mg-N-Nb","density":4.0801480680711615,"density_atomic":0.08032591448650825,"volume":149.39138977391352,"volume_molar":7.497133146254431,"formula_full":"Mg4 Nb2 N6","formula_reduced":"Mg2NbN3","formula_anonymous":"AB2C3","energy_above_hull":3.360781208333333,"spacegroup":15},{"id":"jvasp-111410","created_at":"2022-09-04T14:38:40.906699Z","updated_at":"2022-09-04T14:38:40.906726Z","structure_string":"C4 O8\n1.0\n4.297433 0.000000 0.000000\n-0.000000 4.297433 -0.000000\n-0.000000 -0.000000 9.082868\nC O\n4 8\ndirect\n-0.000072 0.000072 0.750000 C\n0.000072 -0.000072 0.250000 C\n0.500072 0.500072 0.500000 C\n0.499927 0.499927 0.000000 C\n0.692961 0.307156 0.500081 O\n0.307038 0.692844 0.000081 O\n0.807155 0.807038 0.250081 O\n0.192844 0.192961 0.750081 O\n0.692844 0.307038 -0.000081 O\n0.307156 0.692961 0.499919 O\n0.807038 0.807155 0.749919 O\n0.192961 0.192844 0.249919 O\n","nsites":12,"nelements":2,"elements":["C","O"],"chemical_system":"C-O","density":1.7426665362096336,"density_atomic":0.07153853042472252,"volume":167.74177396091716,"volume_molar":8.418038117706216,"formula_full":"C4 O8","formula_reduced":"CO2","formula_anonymous":"AB2","energy_above_hull":2.774765666666667,"spacegroup":136},{"id":"jvasp-116595","created_at":"2022-09-04T14:38:43.287419Z","updated_at":"2022-09-04T14:38:43.287441Z","structure_string":"Rb1 Sc1 S2 O8\n1.0\n5.271416 0.000000 0.000000\n-2.635707 4.565181 0.000000\n0.000000 0.000000 7.773815\nRb Sc S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666666 0.230022 S\n0.666667 0.333333 0.769979 S\n0.180449 0.361040 0.162211 O\n0.638960 0.819409 0.162211 O\n0.361040 0.180449 0.837789 O\n0.180590 0.819550 0.162211 O\n0.819410 0.638960 0.837789 O\n0.819551 0.180590 0.837789 O\n0.333333 0.666666 0.416816 O\n0.666667 0.333333 0.583185 O\n","nsites":12,"nelements":4,"elements":["Rb","Sc","S","O"],"chemical_system":"O-Rb-S-Sc","density":2.863025301867331,"density_atomic":0.06414484401638236,"volume":187.07661050567435,"volume_molar":9.388347344740549,"formula_full":"Rb1 Sc1 S2 O8","formula_reduced":"RbSc(SO4)2","formula_anonymous":"ABC2D8","energy_above_hull":2.3380477708333336,"spacegroup":164},{"id":"jvasp-119701","created_at":"2022-09-04T14:38:51.907665Z","updated_at":"2022-09-04T14:38:51.907684Z","structure_string":"Tm2 Cr2 O8\n1.0\n5.640430 0.016654 -1.635900\n-3.178901 4.659326 -1.635900\n-0.008767 -0.016654 5.872865\nTm Cr O\n2 2 8\ndirect\n0.500000 0.500000 -0.000000 Tm\n0.750000 0.250000 0.499999 Tm\n0.250000 0.750001 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.823332 0.008777 0.185445 O\n0.887886 0.573332 0.314555 O\n0.258778 0.573333 0.685445 O\n0.823332 0.637887 0.814554 O\n0.362114 0.176668 0.185445 O\n0.426668 0.741223 0.314555 O\n0.426668 0.112114 0.685444 O\n0.991222 0.176668 0.814554 O\n","nsites":12,"nelements":3,"elements":["Tm","Cr","O"],"chemical_system":"Cr-O-Tm","density":6.130802723735134,"density_atomic":0.07774715433152897,"volume":154.34648513088555,"volume_molar":7.745802160578664,"formula_full":"Tm2 Cr2 O8","formula_reduced":"TmCrO4","formula_anonymous":"ABC4","energy_above_hull":2.4408326083333334,"spacegroup":141},{"id":"jvasp-112690","created_at":"2022-09-04T14:38:43.298233Z","updated_at":"2022-09-04T14:38:43.298258Z","structure_string":"Co4 Si4 Mo4\n1.0\n4.773287 -0.002709 0.000000\n-2.309073 4.177614 0.000000\n-0.000000 -0.000000 7.439089\nCo Si Mo\n4 4 4\ndirect\n0.002617 0.997382 0.262030 Co\n0.002617 0.997382 0.737970 Co\n0.160441 0.351585 -0.000000 Co\n0.648415 0.839558 -0.000000 Co\n0.159823 0.840177 -0.000000 Si\n0.834563 0.657401 0.500000 Si\n0.342598 0.165438 0.500000 Si\n0.833101 0.166899 0.500000 Si\n0.337769 0.662231 0.683624 Mo\n0.670137 0.329863 0.814535 Mo\n0.670137 0.329863 0.185465 Mo\n0.337769 0.662231 0.316376 Mo\n","nsites":12,"nelements":3,"elements":["Co","Si","Mo"],"chemical_system":"Co-Mo-Si","density":8.194694843514878,"density_atomic":0.08091925751320037,"volume":148.29597266191473,"volume_molar":7.442160179259687,"formula_full":"Co4 Si4 Mo4","formula_reduced":"CoSiMo","formula_anonymous":"ABC","energy_above_hull":3.580875133333333,"spacegroup":38},{"id":"jvasp-117110","created_at":"2022-09-04T14:38:45.417913Z","updated_at":"2022-09-04T14:38:45.417938Z","structure_string":"Ca4 Cd4 Pt4\n1.0\n4.272239 -0.000000 0.000000\n0.000000 7.265380 0.000000\n-0.000000 -0.000000 8.647892\nCa Cd Pt\n4 4 4\ndirect\n0.250000 0.037821 0.322498 Ca\n0.250000 0.537821 0.177502 Ca\n0.750000 0.962179 0.677502 Ca\n0.750000 0.462179 0.822498 Ca\n0.250000 0.141621 0.936559 Cd\n0.250000 0.641621 0.563441 Cd\n0.750000 0.858379 0.063441 Cd\n0.750000 0.358379 0.436559 Cd\n0.250000 0.252993 0.629096 Pt\n0.250000 0.752993 0.870904 Pt\n0.750000 0.747007 0.370904 Pt\n0.750000 0.247007 0.129096 Pt\n","nsites":12,"nelements":3,"elements":["Ca","Cd","Pt"],"chemical_system":"Ca-Cd-Pt","density":8.600644357434703,"density_atomic":0.04470510450904173,"volume":268.42572300827453,"volume_molar":13.470812396338333,"formula_full":"Ca4 Cd4 Pt4","formula_reduced":"CaCdPt","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":62},{"id":"jvasp-119547","created_at":"2022-09-04T14:38:48.748806Z","updated_at":"2022-09-04T14:38:48.748821Z","structure_string":"Na2 Mn2 O8\n1.0\n5.217959 0.066317 0.000000\n-2.062925 4.793311 0.000000\n-0.000000 -0.000000 7.079207\nNa Mn O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.371696 0.628304 0.750000 Mn\n0.628303 0.371697 0.250000 Mn\n0.290636 0.250347 0.250000 O\n0.250347 0.290636 0.750000 O\n0.266366 0.733633 0.563087 O\n0.733633 0.266367 0.063087 O\n0.733633 0.266367 0.436914 O\n0.266366 0.733633 0.936914 O\n0.749653 0.709364 0.250000 O\n0.709364 0.749654 0.750000 O\n","nsites":12,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":2.647581562449548,"density_atomic":0.06740487852319209,"volume":178.02865701881123,"volume_molar":8.934280265675362,"formula_full":"Na2 Mn2 O8","formula_reduced":"NaMnO4","formula_anonymous":"ABC4","energy_above_hull":2.169593373563219,"spacegroup":63},{"id":"jvasp-119132","created_at":"2022-09-04T14:38:48.746787Z","updated_at":"2022-09-04T14:38:48.746812Z","structure_string":"Tl2 Bi2 F8\n1.0\n3.818199 -0.000000 0.000000\n0.000000 6.509580 0.000000\n-0.000000 -0.000000 8.124104\nTl Bi F\n2 2 8\ndirect\n-0.000000 0.251761 0.373360 Tl\n-0.000000 0.751761 0.626640 Tl\n0.500000 0.762789 0.133183 Bi\n0.500000 0.262789 0.866817 Bi\n-0.000000 0.497540 0.913074 F\n-0.000000 0.997540 0.086925 F\n0.500000 0.440110 0.637429 F\n0.500000 0.940110 0.362570 F\n-0.000000 0.655248 0.270484 F\n-0.000000 0.155248 0.729516 F\n0.500000 0.392552 0.144890 F\n0.500000 0.892552 0.855110 F\n","nsites":12,"nelements":3,"elements":["Tl","Bi","F"],"chemical_system":"Bi-F-Tl","density":8.048559763812564,"density_atomic":0.05942842813857506,"volume":201.9235637869881,"volume_molar":10.133434365717344,"formula_full":"Tl2 Bi2 F8","formula_reduced":"TlBiF4","formula_anonymous":"ABC4","energy_above_hull":0.0039449999999996,"spacegroup":26},{"id":"jvasp-113086","created_at":"2022-09-04T14:38:46.342000Z","updated_at":"2022-09-04T14:38:46.342010Z","structure_string":"La4 Br1 Cl3 O4\n1.0\n4.123224 0.000000 0.000000\n0.000000 4.123224 0.000000\n-0.000000 -0.000000 14.146752\nLa Br Cl O\n4 1 3 4\ndirect\n0.000000 0.000000 0.081317 La\n0.000000 0.000000 0.592928 La\n0.500000 0.500000 0.420775 La\n0.500000 0.500000 0.909610 La\n0.000000 0.000000 0.314881 Br\n0.000000 0.000000 0.813943 Cl\n0.500000 0.500000 0.177179 Cl\n0.500000 0.500000 0.686577 Cl\n0.500000 -0.000000 0.994969 O\n0.500000 -0.000000 0.506425 O\n-0.000000 0.500000 0.994969 O\n-0.000000 0.500000 0.506425 O\n","nsites":12,"nelements":4,"elements":["La","Br","Cl","O"],"chemical_system":"Br-Cl-La-O","density":5.564039613509533,"density_atomic":0.04989426710209635,"volume":240.5085934110416,"volume_molar":12.069805029257509,"formula_full":"La4 Br1 Cl3 O4","formula_reduced":"La4BrCl3O4","formula_anonymous":"AB3C4D4","energy_above_hull":1.4879975256250002,"spacegroup":99},{"id":"jvasp-119555","created_at":"2022-09-04T14:38:51.946909Z","updated_at":"2022-09-04T14:38:51.946937Z","structure_string":"Sr2 Ca2 I8\n1.0\n8.447022 0.001278 2.952513\n-4.387901 7.217930 2.952513\n0.004215 0.007497 7.573591\nSr Ca I\n2 2 8\ndirect\n0.636272 0.363729 0.749999 Sr\n0.363729 0.636272 0.249999 Sr\n0.001515 0.998485 0.249999 Ca\n0.998486 0.001515 0.749999 Ca\n0.640033 0.761124 0.730340 I\n0.941489 0.297644 0.411037 I\n0.297644 0.941489 0.911037 I\n0.238877 0.359968 0.769658 I\n0.761124 0.640032 0.230340 I\n0.702357 0.058511 0.088962 I\n0.058512 0.702357 0.588961 I\n0.359968 0.238877 0.269659 I\n","nsites":12,"nelements":3,"elements":["Sr","Ca","I"],"chemical_system":"Ca-I-Sr","density":4.572592519669107,"density_atomic":0.026006082959317712,"volume":461.43050526955744,"volume_molar":23.156662114093308,"formula_full":"Sr2 Ca2 I8","formula_reduced":"SrCaI4","formula_anonymous":"ABC4","energy_above_hull":0.0097649999999999,"spacegroup":15},{"id":"jvasp-112831","created_at":"2022-09-04T14:38:43.655941Z","updated_at":"2022-09-04T14:38:43.655965Z","structure_string":"Ti1 Mn3 O8\n1.0\n4.872974 -0.127417 2.701160\n1.532426 4.627503 2.701160\n-0.181365 -0.127417 5.568594\nTi Mn O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.499999 0.000000 Mn\n0.499999 -0.000001 0.500000 Mn\n0.000000 0.499999 0.500000 Mn\n0.738175 0.738174 0.738175 O\n0.242735 0.242735 0.730236 O\n0.242736 0.730235 0.242735 O\n0.261825 0.261825 0.261825 O\n0.730235 0.242735 0.242736 O\n0.757265 0.757264 0.269765 O\n0.757264 0.269763 0.757265 O\n0.269764 0.757263 0.757265 O\n","nsites":12,"nelements":3,"elements":["Ti","Mn","O"],"chemical_system":"Mn-O-Ti","density":4.347020152483428,"density_atomic":0.092210809725396,"volume":130.1365863257901,"volume_molar":6.5308403406649935,"formula_full":"Ti1 Mn3 O8","formula_reduced":"TiMn3O8","formula_anonymous":"AB3C8","energy_above_hull":3.4700548381226053,"spacegroup":166},{"id":"jvasp-116841","created_at":"2022-09-04T14:38:46.099972Z","updated_at":"2022-09-04T14:38:46.100006Z","structure_string":"V4 O6 F2\n1.0\n4.663458 0.126570 -0.001473\n-0.412842 4.646878 0.001479\n0.001940 -0.001736 5.798013\nV O F\n4 6 2\ndirect\n-0.000001 -0.000000 0.499999 V\n-0.000001 -0.000000 0.000001 V\n0.538072 0.461928 0.249998 V\n0.461929 0.538071 0.750002 V\n0.194746 0.805255 0.750003 O\n0.805256 0.194743 0.249996 O\n0.301761 0.301761 0.000000 O\n0.301759 0.301759 0.500000 O\n0.698241 0.698239 0.000001 O\n0.698242 0.698240 0.500000 O\n0.205289 0.794713 0.250003 F\n0.794711 0.205287 0.749998 F\n","nsites":12,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.453092779957075,"density_atomic":0.09527669785823602,"volume":125.94894942575597,"volume_molar":6.320685850133531,"formula_full":"V4 O6 F2","formula_reduced":"V2O3F","formula_anonymous":"AB2C3","energy_above_hull":2.479351530416668,"spacegroup":63}]}