{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3407","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3405","results":[{"id":"jvasp-10215","created_at":"2022-09-04T14:38:16.169808Z","updated_at":"2022-09-04T14:38:16.169822Z","structure_string":"Tl4 Si2 S6\n1.0\n6.710369 0.017266 -0.006377\n-2.597756 -6.209269 0.094300\n-3.160373 1.209409 -7.728174\nTl Si S\n4 2 6\ndirect\n0.737184 0.312214 0.110258 Tl\n0.262816 0.687785 0.889742 Tl\n0.886388 0.060911 0.673044 Tl\n0.113612 0.939088 0.326956 Tl\n0.431864 0.547502 0.321438 Si\n0.568136 0.452498 0.678562 Si\n0.754390 0.696599 0.900022 S\n0.245609 0.303400 0.099978 S\n0.515503 0.870659 0.273515 S\n0.484497 0.129340 0.726485 S\n0.247554 0.477647 0.496475 S\n0.752446 0.522352 0.503525 S\n","nsites":12,"nelements":3,"elements":["Tl","Si","S"],"chemical_system":"S-Si-Tl","density":5.514342153115777,"density_atomic":0.037379223700503054,"volume":321.0339544809354,"volume_molar":16.110930521863548,"formula_full":"Tl4 Si2 S6","formula_reduced":"Tl2SiS3","formula_anonymous":"AB2C3","energy_above_hull":1.2854723,"spacegroup":2},{"id":"jvasp-10265","created_at":"2022-09-04T14:38:14.283363Z","updated_at":"2022-09-04T14:38:14.283383Z","structure_string":"Ge1 Te7 As4\n1.0\n2.070516 -3.586240 0.000000\n2.070516 3.586240 -0.000000\n0.000000 0.000000 23.201205\nGe Te As\n1 7 4\ndirect\n0.000000 -0.000000 0.500000 Ge\n0.000000 -0.000000 0.273957 Te\n0.000000 -0.000000 0.726042 Te\n0.666668 0.333334 0.851166 Te\n0.333334 0.666668 0.148834 Te\n0.333334 0.666668 0.423283 Te\n0.666668 0.333334 0.576717 Te\n0.000000 0.000000 0.000000 Te\n0.666668 0.333334 0.080044 As\n0.333334 0.666668 0.919956 As\n0.333334 0.666668 0.658118 As\n0.666668 0.333334 0.341881 As\n","nsites":12,"nelements":3,"elements":["Ge","Te","As"],"chemical_system":"As-Ge-Te","density":6.099044872612227,"density_atomic":0.03482753744571742,"volume":344.55493784776866,"volume_molar":17.29131946060262,"formula_full":"Ge1 Te7 As4","formula_reduced":"GeTe7As4","formula_anonymous":"AB4C7","energy_above_hull":1.6719014430555554,"spacegroup":164},{"id":"jvasp-46103","created_at":"2022-09-04T14:38:07.198404Z","updated_at":"2022-09-04T14:38:07.198427Z","structure_string":"Zn2 Se2 O8\n1.0\n4.848038 0.000000 0.000000\n0.000000 4.952747 0.000000\n0.000000 0.000000 6.010726\nZn Se O\n2 2 8\ndirect\n0.964665 0.068099 0.000000 Zn\n0.464665 0.931902 0.500000 Zn\n0.522217 0.651332 0.000000 Se\n0.022217 0.348669 0.500000 Se\n0.624641 0.334357 0.000000 O\n0.182325 0.685601 0.000000 O\n0.667115 0.824070 0.215669 O\n0.167114 0.175930 0.284332 O\n0.682325 0.314399 0.500000 O\n0.124641 0.665643 0.500000 O\n0.167114 0.175930 0.715669 O\n0.667115 0.824070 0.784332 O\n","nsites":12,"nelements":3,"elements":["Zn","Se","O"],"chemical_system":"O-Se-Zn","density":4.794773633511434,"density_atomic":0.08314615224317434,"volume":144.32417708162927,"volume_molar":7.242837578806146,"formula_full":"Zn2 Se2 O8","formula_reduced":"ZnSeO4","formula_anonymous":"ABC4","energy_above_hull":1.593584627777778,"spacegroup":31},{"id":"jvasp-5404","created_at":"2022-09-04T14:38:11.844665Z","updated_at":"2022-09-04T14:38:11.844681Z","structure_string":"V2 N2 Cl8\n1.0\n5.908637 0.172743 -0.017710\n-2.730131 6.447724 -0.044311\n-0.660690 -2.854916 7.054673\nV N Cl\n2 2 8\ndirect\n0.266744 0.498568 0.154123 V\n0.733255 0.501431 0.845877 V\n0.908257 0.652956 0.741255 N\n0.091743 0.347042 0.258745 N\n0.901943 0.195365 0.343573 Cl\n0.098057 0.804634 0.656427 Cl\n0.445178 0.234489 0.590387 Cl\n0.554821 0.765509 0.409613 Cl\n0.518583 0.711621 0.951130 Cl\n0.481417 0.288377 0.048870 Cl\n0.955200 0.274424 0.843601 Cl\n0.044800 0.725574 0.156399 Cl\n","nsites":12,"nelements":3,"elements":["V","N","Cl"],"chemical_system":"Cl-N-V","density":2.5325652037814983,"density_atomic":0.04425841379430136,"volume":271.134886482197,"volume_molar":13.606770427853426,"formula_full":"V2 N2 Cl8","formula_reduced":"VNCl4","formula_anonymous":"ABC4","energy_above_hull":1.7138706199999998,"spacegroup":2},{"id":"jvasp-35157","created_at":"2022-09-04T14:38:11.204400Z","updated_at":"2022-09-04T14:38:11.204433Z","structure_string":"K8 N3 O1\n1.0\n6.622879 0.000000 0.000000\n-0.000000 6.622879 -0.000000\n0.000000 0.000000 6.622879\nK N O\n8 3 1\ndirect\n0.255710 0.744291 0.255710 K\n0.744291 0.255710 0.255710 K\n0.744291 0.744291 0.744291 K\n0.255710 0.255710 0.744291 K\n0.255710 0.744291 0.744291 K\n0.744291 0.255710 0.744291 K\n0.744291 0.744291 0.255710 K\n0.255710 0.255710 0.255710 K\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 O\n","nsites":12,"nelements":3,"elements":["K","N","O"],"chemical_system":"K-N-O","density":2.1196066407811966,"density_atomic":0.041308629288885484,"volume":290.4962039790733,"volume_molar":14.578408588397098,"formula_full":"K8 N3 O1","formula_reduced":"K8N3O","formula_anonymous":"AB3C8","energy_above_hull":1.0669214375,"spacegroup":221},{"id":"jvasp-10256","created_at":"2022-09-04T14:38:11.802118Z","updated_at":"2022-09-04T14:38:11.802143Z","structure_string":"Na6 Al2 As4\n1.0\n5.751562 0.000000 -2.348284\n-1.167607 6.094576 -2.859775\n0.024500 0.058773 8.277688\nNa Al As\n6 2 4\ndirect\n0.311862 0.614132 0.623724 Na\n0.688137 0.385868 0.376276 Na\n0.188137 -0.009592 0.376276 Na\n0.811862 0.009591 0.623724 Na\n0.250000 0.500000 -0.000000 Na\n0.750000 0.500000 0.000000 Na\n0.750000 -0.000000 0.000000 Al\n0.250000 -0.000000 0.000000 Al\n0.894902 0.691781 0.789806 As\n0.105097 0.308219 0.210194 As\n0.605097 0.901977 0.210194 As\n0.394902 0.098024 0.789806 As\n","nsites":12,"nelements":3,"elements":["Na","Al","As"],"chemical_system":"Al-As-Na","density":2.79901221661373,"density_atomic":0.04114675470957086,"volume":291.63903896432356,"volume_molar":14.635761197952341,"formula_full":"Na6 Al2 As4","formula_reduced":"Na3AlAs2","formula_anonymous":"AB2C3","energy_above_hull":0.6808522166666667,"spacegroup":72},{"id":"jvasp-10082","created_at":"2022-09-04T14:38:09.112094Z","updated_at":"2022-09-04T14:38:09.112113Z","structure_string":"Re2 Ag2 O8\n1.0\n5.388190 0.001026 -0.001404\n-0.001337 5.388657 -0.005582\n-2.691179 -2.689349 5.811321\nRe Ag O\n2 2 8\ndirect\n0.875004 0.124970 0.249990 Re\n0.124996 0.875032 0.750011 Re\n0.624988 0.374980 0.749997 Ag\n0.375012 0.625022 0.250004 Ag\n0.927788 0.272056 0.078546 O\n0.272068 0.650814 0.578525 O\n0.806481 0.927791 0.578574 O\n0.650756 0.806446 0.078518 O\n0.349244 0.193556 0.921483 O\n0.193519 0.072211 0.421427 O\n0.727932 0.349188 0.421475 O\n0.072211 0.727946 0.921455 O\n","nsites":12,"nelements":3,"elements":["Re","Ag","O"],"chemical_system":"Ag-O-Re","density":7.052007204226064,"density_atomic":0.0711612499565332,"volume":168.63110200185994,"volume_molar":8.46266860640932,"formula_full":"Re2 Ag2 O8","formula_reduced":"ReAgO4","formula_anonymous":"ABC4","energy_above_hull":2.790241543333334,"spacegroup":88},{"id":"jvasp-9458","created_at":"2022-09-04T14:38:04.755877Z","updated_at":"2022-09-04T14:38:04.755899Z","structure_string":"Sb4 O8\n1.0\n6.236335 -0.021858 -0.029306\n-3.096414 5.996071 -0.007080\n-3.096672 -1.755742 5.733210\nSb O\n4 8\ndirect\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.557799 0.301822 0.813663 O\n0.057795 0.313662 0.801820 O\n0.015750 0.705793 0.794273 O\n0.942206 0.686338 0.198179 O\n0.484252 0.705726 0.794208 O\n0.515749 0.294273 0.205791 O\n0.984251 0.294207 0.205727 O\n0.442202 0.698177 0.186336 O\n","nsites":12,"nelements":2,"elements":["Sb","O"],"chemical_system":"O-Sb","density":4.789946370133531,"density_atomic":0.056281132430333065,"volume":213.21532602163003,"volume_molar":10.700105879096222,"formula_full":"Sb4 O8","formula_reduced":"SbO2","formula_anonymous":"AB2","energy_above_hull":1.517941033333334,"spacegroup":74},{"id":"jvasp-51714","created_at":"2022-09-04T14:38:11.329830Z","updated_at":"2022-09-04T14:38:11.329859Z","structure_string":"Sr2 Mg2 H8\n1.0\n1.978888 6.755274 0.000000\n-1.978888 6.755274 0.000000\n0.000000 0.000000 5.572105\nSr Mg H\n2 2 8\ndirect\n0.848764 0.848764 0.753276 Sr\n0.151235 0.151235 0.253275 Sr\n0.585079 0.585079 0.709302 Mg\n0.414921 0.414921 0.209302 Mg\n0.666685 0.666685 0.985442 H\n0.333315 0.333315 0.485442 H\n0.700739 0.700739 0.506163 H\n0.299261 0.299261 0.006162 H\n0.924846 0.924846 0.179975 H\n0.075154 0.075154 0.679976 H\n0.461628 0.461628 0.866845 H\n0.538371 0.538371 0.366845 H\n","nsites":12,"nelements":3,"elements":["Sr","Mg","H"],"chemical_system":"H-Mg-Sr","density":2.585006823698295,"density_atomic":0.08055041360202553,"volume":148.97502648823453,"volume_molar":7.476238160307308,"formula_full":"Sr2 Mg2 H8","formula_reduced":"SrMgH4","formula_anonymous":"ABC4","energy_above_hull":1.5569408933333335,"spacegroup":36},{"id":"jvasp-98185","created_at":"2022-09-04T14:38:11.167609Z","updated_at":"2022-09-04T14:38:11.167633Z","structure_string":"Er4 Mn8\n1.0\n5.028263 -0.000000 0.000000\n-2.514131 4.354603 -0.000000\n0.000000 -0.000000 8.280937\nEr Mn\n4 8\ndirect\n0.333333 0.666666 0.437095 Er\n0.666666 0.333333 0.937095 Er\n0.666666 0.333333 0.562906 Er\n0.333333 0.666666 0.062906 Er\n0.169083 0.338167 0.750000 Mn\n0.830916 0.169083 0.250000 Mn\n0.338167 0.169083 0.250000 Mn\n0.661833 0.830916 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.830916 0.661833 0.250000 Mn\n0.169083 0.830916 0.750000 Mn\n","nsites":12,"nelements":2,"elements":["Er","Mn"],"chemical_system":"Er-Mn","density":10.152069306550963,"density_atomic":0.06618128767864061,"volume":181.32013475272538,"volume_molar":9.099461450859001,"formula_full":"Er4 Mn8","formula_reduced":"ErMn2","formula_anonymous":"AB2","energy_above_hull":2.9197914942528733,"spacegroup":194},{"id":"jvasp-5647","created_at":"2022-09-04T14:38:08.409973Z","updated_at":"2022-09-04T14:38:08.409989Z","structure_string":"U2 Br10\n1.0\n6.561916 -0.133691 1.215321\n-3.124317 6.672799 -0.283257\n1.556084 -3.468354 9.768904\nU Br\n2 10\ndirect\n0.891698 -0.001064 0.217560 U\n0.108303 0.001064 0.782439 U\n0.531300 0.743709 0.340939 Br\n0.468700 0.256291 0.659060 Br\n0.262265 0.239632 0.047668 Br\n0.737736 0.760368 -0.047669 Br\n0.321798 0.750997 0.744744 Br\n0.678202 0.249003 0.255255 Br\n0.879760 0.250791 0.848912 Br\n0.120240 0.749209 0.151087 Br\n0.924894 0.749852 0.556659 Br\n0.075106 0.250149 0.443340 Br\n","nsites":12,"nelements":2,"elements":["U","Br"],"chemical_system":"Br-U","density":5.067530012942534,"density_atomic":0.028720035663470013,"volume":417.8267792077712,"volume_molar":20.96843064738866,"formula_full":"U2 Br10","formula_reduced":"UBr5","formula_anonymous":"AB5","energy_above_hull":0.8164494208333333,"spacegroup":2},{"id":"jvasp-10077","created_at":"2022-09-04T14:38:06.665944Z","updated_at":"2022-09-04T14:38:06.665963Z","structure_string":"Zr2 Tl2 Cu2 S6\n1.0\n3.735856 0.000000 0.000000\n-1.867928 7.048835 0.000000\n0.000000 -0.000000 9.814151\nZr Tl Cu S\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255911 0.511824 0.250000 Tl\n0.744089 0.488176 0.750000 Tl\n0.460412 0.920825 0.750000 Cu\n0.539588 0.079175 0.250000 Cu\n0.376127 0.752253 0.549088 S\n0.623874 0.247746 0.450912 S\n0.623874 0.247746 0.049088 S\n0.061687 0.123374 0.750000 S\n0.938314 0.876625 0.250000 S\n0.376127 0.752253 0.950912 S\n","nsites":12,"nelements":4,"elements":["Zr","Tl","Cu","S"],"chemical_system":"Cu-S-Tl-Zr","density":5.851437955171302,"density_atomic":0.0464323899221221,"volume":258.4402831757484,"volume_molar":12.969698027821806,"formula_full":"Zr2 Tl2 Cu2 S6","formula_reduced":"ZrTlCuS3","formula_anonymous":"ABCD3","energy_above_hull":1.4675262583333335,"spacegroup":63}]}