{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4402","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=4400","results":[{"id":"jvasp-13377","created_at":"2022-09-04T14:37:03.240702Z","updated_at":"2022-09-04T14:37:03.240728Z","structure_string":"Ti3 Zn2 O8\n1.0\n5.881013 0.071791 0.050764\n3.002680 5.200794 0.000000\n3.002680 1.733598 4.903356\nTi Zn O\n3 2 8\ndirect\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.625000 0.625000 0.625000 Ti\n0.971825 0.009392 0.009391 Zn\n0.278174 0.240608 0.240608 Zn\n0.415355 0.372985 0.372985 O\n0.415354 0.372985 0.838675 O\n0.415355 0.838674 0.372985 O\n0.854817 0.381728 0.381728 O\n0.395182 0.868272 0.868273 O\n0.834645 0.877014 0.411325 O\n0.834645 0.411325 0.877015 O\n0.834645 0.877014 0.877015 O\n","nsites":13,"nelements":3,"elements":["Ti","Zn","O"],"chemical_system":"O-Ti-Zn","density":4.503217173954381,"density_atomic":0.08760801685155935,"volume":148.3882465006239,"volume_molar":6.873960827356419,"formula_full":"Ti3 Zn2 O8","formula_reduced":"Ti3Zn2O8","formula_anonymous":"A2B3C8","energy_above_hull":2.404468753846154,"spacegroup":166},{"id":"jvasp-12726","created_at":"2022-09-04T14:37:02.483001Z","updated_at":"2022-09-04T14:37:02.483021Z","structure_string":"Na2 Mn3 Cl8\n1.0\n6.507051 0.003270 4.242128\n2.300097 6.086975 4.242128\n0.004729 0.003270 7.767710\nNa Mn Cl\n2 3 8\ndirect\n0.158826 0.158826 0.158826 Na\n0.841174 0.841175 0.841174 Na\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.406265 0.406266 0.406265 Cl\n0.593735 0.593735 0.593735 Cl\n0.899117 0.420855 0.899117 Cl\n0.899117 0.899118 0.420855 Cl\n0.420855 0.899118 0.899117 Cl\n0.579145 0.100883 0.100883 Cl\n0.100883 0.579145 0.100883 Cl\n0.100883 0.100883 0.579145 Cl\n","nsites":13,"nelements":3,"elements":["Na","Mn","Cl"],"chemical_system":"Cl-Mn-Na","density":2.670555488780132,"density_atomic":0.04228651301187722,"volume":307.42662551411195,"volume_molar":14.241280093982997,"formula_full":"Na2 Mn3 Cl8","formula_reduced":"Na2Mn3Cl8","formula_anonymous":"A2B3C8","energy_above_hull":1.0607723848983204,"spacegroup":166},{"id":"jvasp-43576","created_at":"2022-09-04T14:36:16.934574Z","updated_at":"2022-09-04T14:36:16.934599Z","structure_string":"Li2 Fe3 F8\n1.0\n5.181737 -0.129968 0.195482\n-2.694363 5.216424 -0.072880\n0.156867 -1.925444 5.393432\nLi Fe F\n2 3 8\ndirect\n0.588160 0.095792 0.756338 Li\n0.411841 0.904207 0.243661 Li\n0.000000 0.000000 0.000000 Fe\n0.720259 0.522337 0.385526 Fe\n0.279742 0.477662 0.614473 Fe\n0.458502 0.221170 0.068588 F\n0.468690 0.224480 0.548993 F\n0.038822 0.724006 0.685511 F\n0.005606 0.765747 0.190839 F\n0.994396 0.234252 0.809161 F\n0.961179 0.275993 0.314488 F\n0.531311 0.775519 0.451006 F\n0.541499 0.778829 0.931411 F\n","nsites":13,"nelements":3,"elements":["Li","Fe","F"],"chemical_system":"F-Fe-Li","density":3.843989182874436,"density_atomic":0.0902620747448114,"volume":144.02505190306726,"volume_molar":6.671839504050593,"formula_full":"Li2 Fe3 F8","formula_reduced":"Li2Fe3F8","formula_anonymous":"A2B3C8","energy_above_hull":0.8113152892307692,"spacegroup":2},{"id":"jvasp-20930","created_at":"2022-09-04T14:37:59.176119Z","updated_at":"2022-09-04T14:37:59.176137Z","structure_string":"Ba3 P2 O8\n1.0\n5.259608 -0.001801 5.712720\n2.228122 4.764342 5.712720\n-0.002832 -0.001801 7.765220\nBa P O\n3 2 8\ndirect\n0.208328 0.208328 0.208328 Ba\n0.791672 0.791672 0.791672 Ba\n0.000000 0.000000 0.000000 Ba\n0.407725 0.407725 0.407724 P\n0.592276 0.592275 0.592275 P\n0.282764 0.282764 0.733266 O\n0.282764 0.733266 0.282764 O\n0.733266 0.282764 0.282763 O\n0.266734 0.717236 0.717236 O\n0.717236 0.717236 0.266734 O\n0.665442 0.665442 0.665442 O\n0.334558 0.334558 0.334558 O\n0.717236 0.266734 0.717236 O\n","nsites":13,"nelements":3,"elements":["Ba","P","O"],"chemical_system":"Ba-O-P","density":5.132977264186866,"density_atomic":0.06676089261028027,"volume":194.72477811056373,"volume_molar":9.020461717242936,"formula_full":"Ba3 P2 O8","formula_reduced":"Ba3(PO4)2","formula_anonymous":"A2B3C8","energy_above_hull":2.0801736084615388,"spacegroup":166},{"id":"jvasp-57724","created_at":"2022-09-04T14:37:57.419953Z","updated_at":"2022-09-04T14:37:57.419986Z","structure_string":"Ca3 P2 O8\n1.0\n4.869789 -0.006378 4.932160\n2.020479 4.430864 4.932160\n-0.009932 -0.006378 6.931158\nCa P O\n3 2 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.202655 0.202655 0.202655 Ca\n0.797346 0.797343 0.797345 Ca\n0.404979 0.404978 0.404979 P\n0.595022 0.595021 0.595022 P\n0.727440 0.727438 0.246175 O\n0.727440 0.246174 0.727439 O\n0.246175 0.727438 0.727439 O\n0.753826 0.272561 0.272561 O\n0.272562 0.272561 0.753826 O\n0.322900 0.322899 0.322899 O\n0.677102 0.677100 0.677101 O\n0.272562 0.753825 0.272561 O\n","nsites":13,"nelements":3,"elements":["Ca","P","O"],"chemical_system":"Ca-O-P","density":3.4348249417959758,"density_atomic":0.08669412305864448,"volume":149.9524943715748,"volume_molar":6.946423295528701,"formula_full":"Ca3 P2 O8","formula_reduced":"Ca3(PO4)2","formula_anonymous":"A2B3C8","energy_above_hull":2.0255415584615384,"spacegroup":166},{"id":"jvasp-27065","created_at":"2022-09-04T14:37:58.706077Z","updated_at":"2022-09-04T14:37:58.706101Z","structure_string":"K6 Mn4 O16\n1.0\n0.000000 7.830516 0.017806\n5.735990 0.000000 0.000000\n0.000000 -3.607993 -9.012097\nK Mn O\n6 4 16\ndirect\n0.343063 0.250000 0.953479 K\n0.656938 0.750000 0.046521 K\n0.156930 0.250000 0.546524 K\n0.249918 0.750000 0.249917 K\n0.843070 0.750000 0.453476 K\n0.750082 0.250000 0.750083 K\n0.564773 0.250000 0.342612 Mn\n0.435228 0.750000 0.657388 Mn\n0.064834 0.750000 0.842582 Mn\n0.935167 0.250000 0.157418 Mn\n0.460273 0.517071 0.761318 O\n0.960234 0.482932 0.261349 O\n0.727295 0.250000 0.028445 O\n0.039767 0.982932 0.738651 O\n0.039767 0.517068 0.738651 O\n0.539727 0.017071 0.238682 O\n0.460273 0.982929 0.761318 O\n0.411277 0.250000 0.419315 O\n0.227379 0.750000 0.528390 O\n0.772622 0.250000 0.471610 O\n0.588724 0.750000 0.580685 O\n0.088617 0.250000 0.080665 O\n0.960234 0.017068 0.261349 O\n0.272706 0.750000 0.971555 O\n0.539727 0.482929 0.238682 O\n0.911384 0.750000 0.919335 O\n","nsites":26,"nelements":3,"elements":["K","Mn","O"],"chemical_system":"K-Mn-O","density":2.916631971131825,"density_atomic":0.06429012504187004,"volume":404.41669670213054,"volume_molar":9.36713182013253,"formula_full":"K6 Mn4 O16","formula_reduced":"K3Mn2O8","formula_anonymous":"A2B3C8","energy_above_hull":2.2203397294429705,"spacegroup":166},{"id":"jvasp-11527","created_at":"2022-09-04T14:37:11.682323Z","updated_at":"2022-09-04T14:37:11.682334Z","structure_string":"Ca2 Sn3 O8\n1.0\n5.144685 0.000203 -1.606487\n-0.940352 5.588858 -3.010718\n-0.077657 -0.170713 6.546924\nCa Sn O\n2 3 8\ndirect\n0.654541 0.719700 0.439397 Ca\n0.345457 0.280302 0.560601 Ca\n0.500000 0.999999 -0.000001 Sn\n0.999998 0.737694 -0.000001 Sn\n0.999998 0.262305 -0.000001 Sn\n0.058401 0.390733 0.781465 O\n0.941598 0.609266 0.218533 O\n0.084843 0.897357 0.794712 O\n0.915156 0.102643 0.205285 O\n0.398675 0.330946 0.220234 O\n0.398675 0.889288 0.220233 O\n0.601325 0.110711 0.779765 O\n0.601325 0.669054 0.779765 O\n","nsites":13,"nelements":3,"elements":["Ca","Sn","O"],"chemical_system":"Ca-O-Sn","density":5.074659187396307,"density_atomic":0.07040533253618127,"volume":184.645104734351,"volume_molar":8.553529318116956,"formula_full":"Ca2 Sn3 O8","formula_reduced":"Ca2Sn3O8","formula_anonymous":"A2B3C8","energy_above_hull":1.691697664102564,"spacegroup":12},{"id":"jvasp-11323","created_at":"2022-09-04T14:37:16.738331Z","updated_at":"2022-09-04T14:37:16.738345Z","structure_string":"Ti3 Zn2 O8\n1.0\n4.659840 -0.336335 -2.079776\n-0.884990 5.259819 -2.833466\n-0.648888 -0.086285 6.479391\nTi Zn O\n3 2 8\ndirect\n0.500000 0.999999 -0.000001 Ti\n0.999999 0.734174 -0.000002 Ti\n0.999999 0.265824 -0.000001 Ti\n0.715359 0.685531 0.371061 Zn\n0.284639 0.314469 0.628937 Zn\n0.005152 0.389581 0.779165 O\n0.994847 0.610416 0.220833 O\n0.028055 0.889373 0.778747 O\n0.971944 0.110624 0.221250 O\n0.454867 0.338049 0.212711 O\n0.454867 0.874661 0.212710 O\n0.545133 0.125336 0.787287 O\n0.545133 0.661949 0.787287 O\n","nsites":13,"nelements":3,"elements":["Ti","Zn","O"],"chemical_system":"O-Ti-Zn","density":4.519125040030398,"density_atomic":0.08791749706213428,"volume":147.86590194682702,"volume_molar":6.849763654831926,"formula_full":"Ti3 Zn2 O8","formula_reduced":"Ti3Zn2O8","formula_anonymous":"A2B3C8","energy_above_hull":2.401129523076923,"spacegroup":12},{"id":"jvasp-11324","created_at":"2022-09-04T14:37:17.282655Z","updated_at":"2022-09-04T14:37:17.282672Z","structure_string":"Mg2 Ti3 O8\n1.0\n4.731643 -0.004986 -1.487113\n-0.873803 5.193332 -2.797649\n-0.093050 -0.211278 5.992391\nMg Ti O\n2 3 8\ndirect\n0.652864 0.723713 0.447427 Mg\n0.347134 0.276287 0.552573 Mg\n0.500000 0.999998 -0.000000 Ti\n0.999999 0.732869 -0.000000 Ti\n0.999998 0.267129 -0.000000 Ti\n0.079937 0.394028 0.788057 O\n0.920063 0.605969 0.211942 O\n0.080547 0.891515 0.783031 O\n0.919453 0.108483 0.216968 O\n0.406507 0.341596 0.231200 O\n0.406507 0.889603 0.231200 O\n0.593493 0.110395 0.768800 O\n0.593494 0.658403 0.768799 O\n","nsites":13,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":3.70704531406476,"density_atomic":0.09063426411020327,"volume":143.43361340908717,"volume_molar":6.64444161280728,"formula_full":"Mg2 Ti3 O8","formula_reduced":"Mg2Ti3O8","formula_anonymous":"A2B3C8","energy_above_hull":2.5037354692307696,"spacegroup":12},{"id":"jvasp-59570","created_at":"2022-09-04T14:37:16.193994Z","updated_at":"2022-09-04T14:37:16.194011Z","structure_string":"Ba3 Cr2 O8\n1.0\n5.386167 0.006233 5.820136\n2.283994 4.877931 5.820136\n0.009787 0.006233 7.929986\nBa Cr O\n3 2 8\ndirect\n0.793890 0.793888 0.793891 Ba\n0.206111 0.206111 0.206111 Ba\n0.000000 0.000000 0.000000 Ba\n0.592596 0.592595 0.592597 Cr\n0.407405 0.407404 0.407405 Cr\n0.671391 0.671389 0.671392 O\n0.328610 0.328609 0.328610 O\n0.273461 0.273459 0.757718 O\n0.273460 0.757717 0.273461 O\n0.757718 0.273459 0.273461 O\n0.726541 0.242282 0.726541 O\n0.726540 0.726539 0.242284 O\n0.242283 0.726539 0.726541 O\n","nsites":13,"nelements":3,"elements":["Ba","Cr","O"],"chemical_system":"Ba-Cr-O","density":5.144881509309014,"density_atomic":0.06254679709326334,"volume":207.84437579778447,"volume_molar":9.62821605560458,"formula_full":"Ba3 Cr2 O8","formula_reduced":"Ba3Cr2O8","formula_anonymous":"A2B3C8","energy_above_hull":2.449210823846154,"spacegroup":166},{"id":"jvasp-11542","created_at":"2022-09-04T14:37:16.706855Z","updated_at":"2022-09-04T14:37:16.706881Z","structure_string":"Mg2 Cr3 O8\n1.0\n4.628505 0.004046 -1.438133\n-0.846470 5.030876 -2.710134\n-0.063361 -0.156925 5.885204\nMg Cr O\n2 3 8\ndirect\n0.656031 0.726576 0.453149 Mg\n0.343968 0.273427 0.546853 Mg\n0.500000 1.000000 0.000001 Cr\n0.999998 0.733922 0.000001 Cr\n0.999998 0.266080 0.000001 Cr\n0.074976 0.393508 0.787015 O\n0.925024 0.606493 0.212986 O\n0.080973 0.894139 0.788275 O\n0.919027 0.105863 0.211726 O\n0.403619 0.341541 0.226874 O\n0.403619 0.885335 0.226875 O\n0.596382 0.114667 0.773127 O\n0.596382 0.658462 0.773128 O\n","nsites":13,"nelements":3,"elements":["Mg","Cr","O"],"chemical_system":"Cr-Mg-O","density":4.107961087994623,"density_atomic":0.09669562361312592,"volume":134.44248575315376,"volume_molar":6.227935179459897,"formula_full":"Mg2 Cr3 O8","formula_reduced":"Mg2Cr3O8","formula_anonymous":"A2B3C8","energy_above_hull":2.839602946153846,"spacegroup":12},{"id":"jvasp-50032","created_at":"2022-09-04T14:37:16.796364Z","updated_at":"2022-09-04T14:37:16.796378Z","structure_string":"Sr3 As2 O8\n1.0\n2.816209 1.625950 6.730385\n-2.816302 1.625949 6.730423\n-0.000046 -3.251974 6.730424\nSr As O\n3 2 8\ndirect\n0.000054 0.999961 0.999984 Sr\n0.202903 0.202918 0.202900 Sr\n0.797085 0.797105 0.797088 Sr\n0.593700 0.593725 0.593707 As\n0.406283 0.406305 0.406278 As\n0.268124 0.767698 0.268160 O\n0.232305 0.731818 0.731891 O\n0.678132 0.678276 0.678216 O\n0.321719 0.321867 0.321788 O\n0.731814 0.731913 0.232312 O\n0.268172 0.268121 0.767673 O\n0.767684 0.268168 0.268095 O\n0.731905 0.232328 0.731816 O\n","nsites":13,"nelements":3,"elements":["Sr","As","O"],"chemical_system":"As-O-Sr","density":4.855406374451012,"density_atomic":0.07030152639117287,"volume":184.91774883613752,"volume_molar":8.56615932702728,"formula_full":"Sr3 As2 O8","formula_reduced":"Sr3(AsO4)2","formula_anonymous":"A2B3C8","energy_above_hull":1.911852340769231,"spacegroup":166}]}