{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=122","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=120","results":[{"id":"jvasp-25627","created_at":"2022-09-04T14:37:59.634106Z","updated_at":"2022-09-04T14:37:59.634126Z","structure_string":"As8 Cl12 O4 F20\n1.0\n0.000000 5.830150 -0.060938\n18.399294 0.000000 0.000000\n0.000000 -2.287563 -7.460645\nAs Cl O F\n8 12 4 20\ndirect\n0.560072 0.620780 0.169722 As\n0.145168 0.611142 0.797159 As\n0.560072 0.879219 0.669722 As\n0.439929 0.379220 0.830279 As\n0.854833 0.388858 0.202842 As\n0.439929 0.120780 0.330279 As\n0.854833 0.111142 0.702842 As\n0.145168 0.888858 0.297158 As\n0.670896 0.134782 0.893675 Cl\n0.329105 0.634782 0.606326 Cl\n0.882546 0.531952 0.694270 Cl\n0.882546 0.968047 0.194269 Cl\n0.028244 0.207599 0.663986 Cl\n0.117455 0.031952 0.805731 Cl\n0.028244 0.292401 0.163986 Cl\n0.971756 0.792401 0.336015 Cl\n0.329105 0.865218 0.106326 Cl\n0.971757 0.707599 0.836015 Cl\n0.670896 0.365218 0.393675 Cl\n0.117455 0.468047 0.305731 Cl\n0.673487 0.072076 0.513995 O\n0.673487 0.427924 0.013994 O\n0.326513 0.927924 0.486006 O\n0.326513 0.572076 -0.013994 O\n0.431292 0.039293 0.207784 F\n0.326293 0.844985 0.749817 F\n0.214352 0.412197 0.919680 F\n0.225950 0.339686 0.646848 F\n0.214352 0.087803 0.419680 F\n0.462060 0.300247 0.965323 F\n0.774051 0.660314 0.353153 F\n0.774051 0.839686 0.853153 F\n0.568709 0.960707 0.792217 F\n0.462059 0.199753 0.465323 F\n0.326293 0.655015 0.249817 F\n0.537941 0.800247 0.534678 F\n0.431293 0.460707 0.707784 F\n0.568708 0.539293 0.292217 F\n0.785649 0.912197 0.580321 F\n0.673708 0.155015 0.250184 F\n0.537941 0.699753 0.034677 F\n0.673708 0.344985 0.750184 F\n0.785649 0.587803 0.080321 F\n0.225949 0.160314 0.146848 F\n","nsites":44,"nelements":4,"elements":["As","Cl","O","F"],"chemical_system":"As-Cl-F-O","density":3.037787095022727,"density_atomic":0.054803184924125704,"volume":802.8730458077833,"volume_molar":10.988669305146361,"formula_full":"As8 Cl12 O4 F20","formula_reduced":"As2Cl3OF5","formula_anonymous":"AB2C3D5","energy_above_hull":0.5939146013636365,"spacegroup":14},{"id":"jvasp-116572","created_at":"2022-09-04T14:38:42.209791Z","updated_at":"2022-09-04T14:38:42.209822Z","structure_string":"As4 H12 C2 O12\n1.0\n7.273685 -0.225141 0.000000\n-3.552788 6.350975 0.000000\n-0.000000 -0.000000 7.032647\nAs H C O\n4 12 2 12\ndirect\n0.758706 0.505008 0.035696 As\n0.505007 0.758706 0.964305 As\n0.258706 0.005008 0.464305 As\n0.005008 0.258706 0.535696 As\n0.908460 0.886770 0.626978 H\n0.408460 0.386771 0.873023 H\n0.386770 0.408461 0.126977 H\n0.245460 0.582209 0.411983 H\n0.582209 0.245461 0.588018 H\n0.886770 0.908460 0.373023 H\n0.082208 0.745460 0.911983 H\n0.957684 0.324467 0.848911 H\n0.324467 0.957684 0.151090 H\n0.457684 0.824467 0.651090 H\n0.824467 0.457685 0.348910 H\n0.745460 0.082209 0.088018 H\n0.483915 0.483915 -0.000000 C\n0.983914 0.983915 0.500000 C\n0.283608 0.764068 0.026091 O\n0.764068 0.283609 0.973910 O\n0.219446 0.432826 0.388538 O\n0.432826 0.219446 0.611462 O\n0.719445 0.932826 0.111462 O\n0.584886 0.841401 0.729992 O\n0.084886 0.341402 0.770009 O\n0.341402 0.084887 0.229991 O\n0.841401 0.584886 0.270009 O\n0.264068 0.783608 0.526091 O\n0.932825 0.719446 0.888538 O\n0.783608 0.264069 0.473910 O\n","nsites":30,"nelements":4,"elements":["As","H","C","O"],"chemical_system":"As-C-H-O","density":2.745283308933335,"density_atomic":0.09397088805347467,"volume":319.2478077138989,"volume_molar":6.408517451248376,"formula_full":"As4 H12 C2 O12","formula_reduced":"As2H6CO6","formula_anonymous":"AB2C6D6","energy_above_hull":3.3048076333333336,"spacegroup":41},{"id":"jvasp-118871","created_at":"2022-09-04T14:38:29.806344Z","updated_at":"2022-09-04T14:38:29.806365Z","structure_string":"As2 I1\n1.0\n8.016499 0.000000 -1.187681\n0.000000 2.936470 0.000000\n-0.326288 0.000000 3.754875\nAs I\n2 1\ndirect\n-0.140115 0.000000 -0.169800 As\n0.073437 0.000000 0.436549 As\n0.466678 0.000000 0.133251 I\n","nsites":3,"nelements":2,"elements":["As","I"],"chemical_system":"As-I","density":5.266896430134946,"density_atomic":0.034382936284423155,"volume":87.2525829435667,"volume_molar":17.51491120532446,"formula_full":"As2 I1","formula_reduced":"As2I","formula_anonymous":"AB2","energy_above_hull":1.2999999250000005,"spacegroup":65},{"id":"jvasp-118873","created_at":"2022-09-04T14:38:29.814308Z","updated_at":"2022-09-04T14:38:29.814341Z","structure_string":"As2 I1\n1.0\n3.901746 -0.075377 -0.477737\n-2.008715 -3.292965 -0.207160\n0.209969 -1.993200 -6.626111\nAs I\n2 1\ndirect\n0.767441 0.174718 0.677181 As\n0.234048 0.015894 0.465644 As\n0.985966 0.078866 0.075378 I\n","nsites":3,"nelements":2,"elements":["As","I"],"chemical_system":"As-I","density":5.58474254416599,"density_atomic":0.03645787412152448,"volume":82.28675073044977,"volume_molar":16.51807985272671,"formula_full":"As2 I1","formula_reduced":"As2I","formula_anonymous":"AB2","energy_above_hull":1.278776591666667,"spacegroup":8},{"id":"jvasp-118874","created_at":"2022-09-04T14:38:50.586059Z","updated_at":"2022-09-04T14:38:50.586084Z","structure_string":"As2 I1\n1.0\n5.970277 0.000000 0.000000\n0.000000 2.939446 0.000000\n0.000000 0.000000 5.766413\nAs I\n2 1\ndirect\n-0.033330 0.000000 0.702896 As\n-0.033330 0.000000 0.297104 As\n0.466661 0.000000 0.000000 I\n","nsites":3,"nelements":2,"elements":["As","I"],"chemical_system":"As-I","density":4.541165805005798,"density_atomic":0.029645279075008323,"volume":101.19655114088879,"volume_molar":20.313995846565692,"formula_full":"As2 I1","formula_reduced":"As2I","formula_anonymous":"AB2","energy_above_hull":1.4066999250000003,"spacegroup":47},{"id":"jvasp-11398","created_at":"2022-09-04T14:37:35.942746Z","updated_at":"2022-09-04T14:37:35.942772Z","structure_string":"As8 Ir4\n1.0\n0.000000 6.159130 -0.002903\n6.163605 0.000000 0.000000\n0.000000 -2.447890 -5.760492\nAs Ir\n8 4\ndirect\n0.846066 0.126879 0.126173 As\n0.153934 0.626879 0.373826 As\n0.153934 0.873120 0.873826 As\n0.846066 0.373121 0.626173 As\n0.661566 0.629525 0.816363 As\n0.338433 0.129525 0.683635 As\n0.338433 0.370475 0.183636 As\n0.661566 0.870474 0.316364 As\n0.727908 0.500177 0.208843 Ir\n0.272092 0.000177 0.291156 Ir\n0.272092 0.499822 0.791156 Ir\n0.727908 0.999822 0.708843 Ir\n","nsites":12,"nelements":2,"elements":["As","Ir"],"chemical_system":"As-Ir","density":10.387496977480033,"density_atomic":0.05486312260012446,"volume":218.72615759520727,"volume_molar":10.976664241102343,"formula_full":"As8 Ir4","formula_reduced":"As2Ir","formula_anonymous":"AB2","energy_above_hull":2.5931181999999997,"spacegroup":14},{"id":"jvasp-116441","created_at":"2022-09-04T14:38:31.406126Z","updated_at":"2022-09-04T14:38:31.406144Z","structure_string":"As2 N1\n1.0\n5.688596 0.000000 -0.150759\n0.000000 2.917357 0.000000\n0.077941 0.000000 2.935588\nAs N\n2 1\ndirect\n-0.487122 0.000000 -0.033291 As\n0.048060 0.000000 0.466629 As\n0.839062 0.000000 -0.033339 N\n","nsites":3,"nelements":2,"elements":["As","N"],"chemical_system":"As-N","density":5.5808458498841675,"density_atomic":0.06153553822030782,"volume":48.752315926115465,"volume_molar":9.786443629435237,"formula_full":"As2 N1","formula_reduced":"As2N","formula_anonymous":"AB2","energy_above_hull":3.095548916666666,"spacegroup":25},{"id":"jvasp-116442","created_at":"2022-09-04T14:38:31.431004Z","updated_at":"2022-09-04T14:38:31.431029Z","structure_string":"As2 N1\n1.0\n4.510816 -0.453274 -0.062856\n-0.419188 -4.536010 -0.771788\n-0.973815 0.123950 -2.749299\nAs N\n2 1\ndirect\n0.563627 0.598199 0.834918 As\n0.106393 0.005772 0.514151 As\n0.861264 0.894250 0.915678 N\n","nsites":3,"nelements":2,"elements":["As","N"],"chemical_system":"As-N","density":4.760969398171676,"density_atomic":0.05249541418044897,"volume":57.14784894710478,"volume_molar":11.471746349689425,"formula_full":"As2 N1","formula_reduced":"As2N","formula_anonymous":"AB2","energy_above_hull":3.023432249999999,"spacegroup":1},{"id":"jvasp-116445","created_at":"2022-09-04T14:38:50.764486Z","updated_at":"2022-09-04T14:38:50.764496Z","structure_string":"As2 N1\n1.0\n3.011030 0.000000 0.000000\n0.000000 3.011992 0.000000\n0.000000 0.000000 6.699659\nAs N\n2 1\ndirect\n0.133267 0.000000 0.742749 As\n0.133267 0.000000 0.257251 As\n0.133465 0.000000 0.000000 N\n","nsites":3,"nelements":2,"elements":["As","N"],"chemical_system":"As-N","density":4.47789270318156,"density_atomic":0.049374153129276184,"volume":60.760535824181325,"volume_molar":12.196949979541419,"formula_full":"As2 N1","formula_reduced":"As2N","formula_anonymous":"AB2","energy_above_hull":3.0992989166666662,"spacegroup":123},{"id":"jvasp-4361","created_at":"2022-09-04T14:37:07.522623Z","updated_at":"2022-09-04T14:37:07.522646Z","structure_string":"As8 O12\n1.0\n0.000000 8.098974 -0.096313\n4.577261 0.000000 0.000000\n0.000000 -6.213702 -8.785930\nAs O\n8 12\ndirect\n0.559442 0.792924 0.877979 As\n0.440557 0.292924 0.622020 As\n0.440557 0.207076 0.122020 As\n0.559442 0.707075 0.377979 As\n0.917777 0.330013 0.804784 As\n0.082223 0.830013 0.695216 As\n0.082223 0.669987 0.195216 As\n0.917777 0.169987 0.304784 As\n0.042551 0.055830 0.213528 O\n0.957449 0.555830 0.286471 O\n0.407208 0.855454 0.182639 O\n0.592791 0.355454 0.317360 O\n0.592791 0.144546 0.817360 O\n0.666001 0.366234 0.627320 O\n0.333998 0.633766 0.372680 O\n0.666001 0.133766 0.127320 O\n0.042551 0.444169 0.713528 O\n0.333998 0.866233 0.872680 O\n0.407209 0.644546 0.682639 O\n0.957449 0.944169 0.786471 O\n","nsites":20,"nelements":2,"elements":["As","O"],"chemical_system":"As-O","density":4.0009720819123995,"density_atomic":0.06089326365066472,"volume":328.4435551810283,"volume_molar":9.8896666050749,"formula_full":"As8 O12","formula_reduced":"As2O3","formula_anonymous":"A2B3","energy_above_hull":2.2748968,"spacegroup":14},{"id":"jvasp-4364","created_at":"2022-09-04T14:37:07.333056Z","updated_at":"2022-09-04T14:37:07.333083Z","structure_string":"As8 O12\n1.0\n0.000000 4.545976 -0.014216\n12.898827 0.000000 0.000000\n0.000000 -4.103400 -5.372803\nAs O\n8 12\ndirect\n0.639569 0.851797 0.139525 As\n0.360433 0.351797 0.360475 As\n0.360432 0.148203 0.860475 As\n0.639569 0.648204 0.639525 As\n0.773425 0.596584 0.232434 As\n0.226577 0.096584 0.267567 As\n0.226577 0.403416 0.767566 As\n0.773424 0.903416 0.732434 As\n0.375115 0.284081 0.944985 O\n0.624886 0.784081 0.555015 O\n0.479714 0.597698 0.332720 O\n0.520287 0.097698 0.167281 O\n0.520287 0.402302 0.667280 O\n0.832763 0.138881 0.957254 O\n0.167238 0.861119 0.042746 O\n0.832763 0.361119 0.457255 O\n0.375115 0.215919 0.444985 O\n0.167238 0.638881 0.542746 O\n0.479714 0.902302 0.832720 O\n0.624886 0.715920 0.055015 O\n","nsites":20,"nelements":2,"elements":["As","O"],"chemical_system":"As-O","density":4.161136789527983,"density_atomic":0.06333090919497093,"volume":315.8015612633615,"volume_molar":9.509007270778634,"formula_full":"As8 O12","formula_reduced":"As2O3","formula_anonymous":"A2B3","energy_above_hull":2.2737008,"spacegroup":14},{"id":"jvasp-18996","created_at":"2022-09-04T14:36:47.895673Z","updated_at":"2022-09-04T14:36:47.895682Z","structure_string":"As8 O12\n1.0\n6.727915 -0.000000 3.884364\n2.242639 6.343140 3.884364\n0.000000 0.000000 7.768728\nAs O\n8 12\ndirect\n0.768688 0.768688 0.768687 As\n0.806063 0.231312 0.231312 As\n0.231313 0.806062 0.231312 As\n0.193938 0.768688 0.768687 As\n0.768688 0.193938 0.768687 As\n0.768688 0.768688 0.193937 As\n0.231312 0.231312 0.231312 As\n0.231312 0.231312 0.806062 As\n0.054172 0.695828 0.695828 O\n0.695828 0.695828 0.054171 O\n0.945828 0.304172 0.304171 O\n0.054172 0.695828 0.054172 O\n0.695828 0.054172 0.695827 O\n0.945828 0.304172 0.945827 O\n0.945829 0.945828 0.304171 O\n0.304172 0.304172 0.945828 O\n0.304173 0.945828 0.304172 O\n0.695828 0.054172 0.054172 O\n0.304173 0.945828 0.945827 O\n0.054172 0.054172 0.695828 O\n","nsites":20,"nelements":2,"elements":["As","O"],"chemical_system":"As-O","density":3.9636158499905143,"density_atomic":0.06032471609950873,"volume":331.5390654637971,"volume_molar":9.982874598309204,"formula_full":"As8 O12","formula_reduced":"As2O3","formula_anonymous":"A2B3","energy_above_hull":2.2751488,"spacegroup":227}]}