{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3501","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3499","results":[{"id":"jvasp-101674","created_at":"2022-09-04T14:37:11.167887Z","updated_at":"2022-09-04T14:37:11.167905Z","structure_string":"Yb2 U1 S3 O2\n1.0\n3.708869 -0.001576 -9.877544\n-0.123726 3.706805 -9.877544\n0.001525 0.001576 10.550904\nYb U S O\n2 1 3 2\ndirect\n0.495022 0.495022 -0.000001 Yb\n0.812789 0.812788 -0.000002 Yb\n0.188626 0.188626 -0.000000 U\n0.628163 0.628162 -0.000001 S\n0.363398 0.363398 -0.000001 S\n0.033449 0.033449 -0.000000 S\n0.739275 0.239274 0.500000 O\n0.239274 0.739274 0.500000 O\n","nsites":8,"nelements":4,"elements":["Yb","U","S","O"],"chemical_system":"O-S-U-Yb","density":8.147853389560014,"density_atomic":0.055108615291642196,"volume":145.1678645464584,"volume_molar":10.927766426592326,"formula_full":"Yb2 U1 S3 O2","formula_reduced":"Yb2US3O2","formula_anonymous":"AB2C2D3","energy_above_hull":1.8573680500000005,"spacegroup":107},{"id":"jvasp-60699","created_at":"2022-09-04T14:37:06.734077Z","updated_at":"2022-09-04T14:37:06.734102Z","structure_string":"Co2 Sb4 Br4 O6\n1.0\n5.255174 -0.022902 0.030896\n0.992398 8.015466 0.061895\n1.123839 0.250242 7.875437\nCo Sb Br O\n2 4 4 6\ndirect\n0.528607 0.286518 0.483170 Co\n0.471392 0.713482 0.516830 Co\n0.100580 0.033715 0.299423 Sb\n0.073935 0.481887 0.291736 Sb\n0.899419 0.966285 0.700577 Sb\n0.926065 0.518113 0.708264 Sb\n0.649150 0.788383 0.213056 Br\n0.350849 0.211617 0.786945 Br\n0.752465 0.305424 0.124004 Br\n0.247535 0.694577 0.875997 Br\n0.216653 0.914011 0.517692 O\n0.770059 0.752700 0.637586 O\n0.765295 0.465805 0.484864 O\n0.234705 0.534195 0.515137 O\n0.783346 0.085989 0.482308 O\n0.229941 0.247301 0.362414 O\n","nsites":16,"nelements":4,"elements":["Co","Sb","Br","O"],"chemical_system":"Br-Co-O-Sb","density":5.1110279380061945,"density_atomic":0.04825675722302385,"volume":331.5597839708595,"volume_molar":12.479373058923173,"formula_full":"Co2 Sb4 Br4 O6","formula_reduced":"CoSb2Br2O3","formula_anonymous":"AB2C2D3","energy_above_hull":1.84456897625,"spacegroup":2},{"id":"jvasp-96978","created_at":"2022-09-04T14:36:54.095066Z","updated_at":"2022-09-04T14:36:54.095097Z","structure_string":"K8 V4 O8 F12\n1.0\n5.659324 0.000000 0.000000\n-0.000000 7.303742 0.000000\n0.000000 0.000000 11.376050\nK V O F\n8 4 8 12\ndirect\n0.749999 0.812627 0.589413 K\n0.250000 0.187373 0.410587 K\n0.749999 0.312627 0.910587 K\n0.250000 0.687373 0.089413 K\n0.749999 0.526665 0.284984 K\n0.250000 0.473334 0.715016 K\n0.749999 0.026666 0.215016 K\n0.250000 0.973334 0.784984 K\n0.749999 0.796533 0.928779 V\n0.749999 0.296533 0.571220 V\n0.250000 0.703467 0.428779 V\n0.250000 0.203467 0.071220 V\n0.019709 0.327179 0.114395 O\n0.519709 0.672821 0.885605 O\n0.980290 0.172821 0.614395 O\n0.019709 0.827179 0.385605 O\n0.519709 0.172821 0.614395 O\n0.480290 0.327179 0.114395 O\n0.980290 0.672821 0.885605 O\n0.480290 0.827179 0.385605 O\n0.749999 0.468154 0.694961 F\n0.250000 0.031846 0.194961 F\n0.749999 0.968154 0.805039 F\n0.500000 0.000000 0.000000 F\n0.250000 0.275527 0.909314 F\n0.500000 0.500000 0.500000 F\n0.749999 0.224473 0.409314 F\n0.250000 0.775526 0.590686 F\n0.000000 0.000000 0.000000 F\n0.250000 0.531846 0.305039 F\n0.000000 0.500000 0.500000 F\n0.749999 0.724473 0.090686 F\n","nsites":32,"nelements":4,"elements":["K","V","O","F"],"chemical_system":"F-K-O-V","density":3.081251969469336,"density_atomic":0.06805319260006472,"volume":470.2204081454008,"volume_molar":8.849167143988295,"formula_full":"K8 V4 O8 F12","formula_reduced":"K2VO2F3","formula_anonymous":"AB2C2D3","energy_above_hull":0.6449960059375,"spacegroup":62},{"id":"jvasp-101823","created_at":"2022-09-04T14:36:53.785851Z","updated_at":"2022-09-04T14:36:53.785874Z","structure_string":"H4 C6 S2 O4\n1.0\n5.338804 0.013718 0.473181\n2.167993 5.032535 0.332034\n0.130679 -0.011362 7.669391\nH C S O\n4 6 2 4\ndirect\n0.703144 0.439344 0.068003 H\n0.203121 0.439392 0.568005 H\n0.575267 0.763804 0.154536 H\n0.075282 0.763841 0.654551 H\n0.725545 0.557166 0.170672 C\n0.225548 0.557194 0.670677 C\n0.004168 0.564692 0.143827 C\n0.504178 0.564697 0.643824 C\n0.182200 0.444882 0.850062 C\n0.682193 0.444865 0.350060 C\n0.274740 0.129580 0.900229 S\n0.774706 0.129568 0.400234 S\n0.063407 0.642831 0.966393 O\n0.563420 0.642822 0.466387 O\n0.159594 0.541008 0.251580 O\n0.659613 0.541008 0.751574 O\n","nsites":16,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.6499932759257008,"density_atomic":0.07784795653635206,"volume":205.52883738866805,"volume_molar":7.735772431210687,"formula_full":"H4 C6 S2 O4","formula_reduced":"H2C3SO2","formula_anonymous":"AB2C2D3","energy_above_hull":4.321289625,"spacegroup":1},{"id":"jvasp-102680","created_at":"2022-09-04T14:36:53.053473Z","updated_at":"2022-09-04T14:36:53.053490Z","structure_string":"Sr1 Ca3 Br2 N2\n1.0\n3.753548 0.000000 0.000000\n-0.000000 6.214011 1.921543\n-0.000000 0.011609 7.333546\nSr Ca Br N\n1 3 2 2\ndirect\n0.500000 0.270969 0.688360 Sr\n0.000000 0.775716 0.666245 Ca\n0.500000 0.725781 0.321076 Ca\n0.000000 0.226593 0.321273 Ca\n0.000000 0.990341 0.012396 Br\n0.500000 0.506135 0.003921 Br\n0.000000 0.508249 0.492159 N\n0.500000 0.996217 0.494570 N\n","nsites":8,"nelements":4,"elements":["Sr","Ca","Br","N"],"chemical_system":"Br-Ca-N-Sr","density":3.8430211769248643,"density_atomic":0.04679232417097489,"volume":170.96821202487675,"volume_molar":12.869932978741653,"formula_full":"Sr1 Ca3 Br2 N2","formula_reduced":"SrCa3(BrN)2","formula_anonymous":"AB2C2D3","energy_above_hull":1.003379035,"spacegroup":6},{"id":"jvasp-104954","created_at":"2022-09-04T14:36:42.494156Z","updated_at":"2022-09-04T14:36:42.494181Z","structure_string":"K2 Fe2 Se1 S3\n1.0\n5.111069 -0.073785 -0.980167\n-1.991559 5.555333 -2.901862\n0.053730 -0.008275 6.562568\nK Fe Se S\n2 2 1 3\ndirect\n0.237232 0.365193 0.645432 K\n0.751850 0.629828 0.345669 K\n0.250626 0.001792 0.008501 Fe\n0.755981 0.001303 0.007240 Fe\n0.407934 0.923183 0.685001 Se\n0.108872 0.302717 0.094521 S\n0.591716 0.077335 0.298196 S\n0.895789 0.698647 0.915440 S\n","nsites":8,"nelements":4,"elements":["K","Fe","Se","S"],"chemical_system":"Fe-K-S-Se","density":3.267099979882503,"density_atomic":0.04311823301814334,"volume":185.53635991144978,"volume_molar":13.966575943559647,"formula_full":"K2 Fe2 Se1 S3","formula_reduced":"K2Fe2SeS3","formula_anonymous":"AB2C2D3","energy_above_hull":1.6555562958333336,"spacegroup":1},{"id":"jvasp-105503","created_at":"2022-09-04T14:36:48.661201Z","updated_at":"2022-09-04T14:36:48.661221Z","structure_string":"Ga2 Ag2 Te1 Se3\n1.0\n6.468860 0.000764 2.990757\n3.611740 5.366701 2.990757\n-0.014681 -0.007817 6.196890\nGa Ag Te Se\n2 2 1 3\ndirect\n0.742942 0.512431 0.613449 Ga\n0.487568 0.257058 0.386552 Ga\n0.271157 0.994674 0.127215 Ag\n0.005326 0.728843 0.872786 Ag\n0.857393 0.142607 0.000001 Te\n0.394702 0.605298 0.500001 Se\n0.120029 0.379112 0.281731 Se\n0.620888 0.879971 0.718271 Se\n","nsites":8,"nelements":4,"elements":["Ga","Ag","Te","Se"],"chemical_system":"Ag-Ga-Se-Te","density":5.547450204164471,"density_atomic":0.037136886406864224,"volume":215.41924415400948,"volume_molar":16.216062633853152,"formula_full":"Ga2 Ag2 Te1 Se3","formula_reduced":"Ga2Ag2TeSe3","formula_anonymous":"AB2C2D3","energy_above_hull":0.4853858795833333,"spacegroup":5},{"id":"jvasp-103690","created_at":"2022-09-04T14:36:45.267035Z","updated_at":"2022-09-04T14:36:45.267052Z","structure_string":"Nd2 Cu1 Si3 Rh2\n1.0\n8.839422 -0.004307 0.000000\n-7.872984 4.018895 0.000000\n-0.000000 -0.000000 4.116393\nNd Cu Si Rh\n2 1 3 2\ndirect\n0.896882 0.103117 -0.000000 Nd\n0.103468 0.896535 0.500000 Nd\n0.534474 0.465526 -0.000000 Cu\n0.466649 0.533352 0.500000 Si\n0.674942 0.325058 -0.000000 Si\n0.324077 0.675924 0.500000 Si\n0.249574 0.750427 -0.000000 Rh\n0.749939 0.250061 0.500000 Rh\n","nsites":8,"nelements":4,"elements":["Nd","Cu","Si","Rh"],"chemical_system":"Cu-Nd-Rh-Si","density":7.298228512927507,"density_atomic":0.05475923443861212,"volume":146.09408042342895,"volume_molar":10.997488956408121,"formula_full":"Nd2 Cu1 Si3 Rh2","formula_reduced":"Nd2CuSi3Rh2","formula_anonymous":"AB2C2D3","energy_above_hull":2.51436065625,"spacegroup":38},{"id":"jvasp-103817","created_at":"2022-09-04T14:36:48.997013Z","updated_at":"2022-09-04T14:36:48.997041Z","structure_string":"H6 C4 N2 O4\n1.0\n3.979473 -0.019599 0.976201\n0.358630 4.535732 0.098388\n0.224173 -0.157264 7.493171\nH C N O\n6 4 2 4\ndirect\n0.863299 0.183712 0.136004 H\n0.748183 0.634277 0.439784 H\n0.679350 0.103337 0.374305 H\n0.863320 0.183706 0.636000 H\n0.748181 0.634271 0.939783 H\n0.679350 0.103331 0.874298 H\n0.917901 0.111056 0.765160 C\n0.124630 0.814726 0.730237 C\n0.917895 0.111063 0.265162 C\n0.124627 0.814734 0.230234 C\n0.968801 0.599396 0.333340 N\n0.968801 0.599389 0.833343 N\n0.133838 0.316058 0.818534 O\n0.406550 0.783877 0.614170 O\n0.133843 0.316064 0.318529 O\n0.406544 0.783887 0.114165 O\n","nsites":16,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.8062339146456659,"density_atomic":0.11912156247868354,"volume":134.3165726428677,"volume_molar":5.055458167850715,"formula_full":"H6 C4 N2 O4","formula_reduced":"H3C2NO2","formula_anonymous":"AB2C2D3","energy_above_hull":4.29355503125,"spacegroup":1},{"id":"jvasp-102713","created_at":"2022-09-04T14:36:48.881355Z","updated_at":"2022-09-04T14:36:48.881384Z","structure_string":"Mn3 V2 Ga2 Co1\n1.0\n4.071430 -0.000000 0.000000\n-2.035715 3.324661 1.174324\n0.000000 -0.000968 7.060645\nMn V Ga Co\n3 2 2 1\ndirect\n0.500395 0.000790 0.498814 Mn\n0.249219 0.498440 0.252341 Mn\n0.750148 0.500298 0.749552 Mn\n0.873680 0.747361 0.378957 V\n0.376843 0.753686 0.869470 V\n0.625917 0.251834 0.122249 Ga\n0.123976 0.247953 0.628070 Ga\n0.999816 0.999634 0.000547 Co\n","nsites":8,"nelements":4,"elements":["Mn","V","Ga","Co"],"chemical_system":"Co-Ga-Mn-V","density":8.080041405438285,"density_atomic":0.083700921450022,"volume":95.57839819931752,"volume_molar":7.194832094645259,"formula_full":"Mn3 V2 Ga2 Co1","formula_reduced":"Mn3V2Ga2Co","formula_anonymous":"AB2C2D3","energy_above_hull":3.438496959267241,"spacegroup":160},{"id":"jvasp-101820","created_at":"2022-09-04T14:36:45.835402Z","updated_at":"2022-09-04T14:36:45.835424Z","structure_string":"H4 C6 S2 O4\n1.0\n4.695187 -0.018421 1.222502\n0.708646 5.986678 1.607195\n-0.076656 -0.049045 6.382055\nH C S O\n4 6 2 4\ndirect\n0.609174 0.417149 0.654112 H\n0.533826 0.325544 0.944046 H\n0.609708 0.916157 0.153087 H\n0.533926 0.826190 0.443205 H\n0.079994 0.264833 0.783174 C\n0.597357 0.267716 0.788002 C\n0.376072 0.131241 0.773298 C\n0.080055 0.764325 0.283329 C\n0.597515 0.767352 0.287717 C\n0.376039 0.630644 0.273780 C\n0.026132 0.525718 0.804509 S\n0.026346 0.025400 0.303992 S\n0.421868 0.935571 0.761450 O\n0.421665 0.434778 0.262619 O\n0.879394 0.642070 0.276908 O\n0.879416 0.142659 0.776472 O\n","nsites":16,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.880197481370098,"density_atomic":0.08870916866454491,"volume":180.36467076480275,"volume_molar":6.788633971729369,"formula_full":"H4 C6 S2 O4","formula_reduced":"H2C3SO2","formula_anonymous":"AB2C2D3","energy_above_hull":4.3293096250000005,"spacegroup":1},{"id":"jvasp-99290","created_at":"2022-09-04T14:37:46.688136Z","updated_at":"2022-09-04T14:37:46.688153Z","structure_string":"K12 V4 S8 O8\n1.0\n7.310451 0.000000 0.000000\n0.000000 9.520420 -4.319170\n0.000000 -0.054606 10.806155\nK V S O\n12 4 8 8\ndirect\n0.258340 0.054482 0.116788 K\n0.131481 0.320042 0.839947 K\n0.741659 0.945517 0.883212 K\n0.241660 0.554482 0.616788 K\n0.868519 0.679958 0.160053 K\n0.276258 0.439249 0.213058 K\n0.631481 0.179958 0.660053 K\n0.776258 0.060751 0.286942 K\n0.723742 0.560750 0.786942 K\n0.223742 0.939249 0.713058 K\n0.758340 0.445518 0.383212 K\n0.368519 0.820042 0.339947 K\n0.698211 0.338660 0.029663 V\n0.801789 0.838660 0.529663 V\n0.301789 0.661339 0.970337 V\n0.198211 0.161340 0.470337 V\n0.078549 0.767708 0.908533 S\n0.921451 0.232292 0.091468 S\n0.964000 0.307178 0.555733 S\n0.578549 0.732291 0.591468 S\n0.036000 0.692822 0.444268 S\n0.421451 0.267708 0.408532 S\n0.536000 0.807178 0.055732 S\n0.464000 0.192821 0.944268 S\n0.871169 0.979022 0.670336 O\n0.717208 0.893460 0.414040 O\n0.371169 0.520977 0.829664 O\n0.217208 0.606540 0.085960 O\n0.782792 0.393460 0.914040 O\n0.128831 0.020978 0.329664 O\n0.282792 0.106540 0.585960 O\n0.628831 0.479022 0.170336 O\n","nsites":32,"nelements":4,"elements":["K","V","S","O"],"chemical_system":"K-O-S-V","density":2.340122949375352,"density_atomic":0.04264570314614724,"volume":750.368680528861,"volume_molar":14.12133067512585,"formula_full":"K12 V4 S8 O8","formula_reduced":"K3V(SO)2","formula_anonymous":"AB2C2D3","energy_above_hull":1.24835315,"spacegroup":14}]}