{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=3","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup","results":[{"id":"jvasp-98086","created_at":"2022-09-04T14:35:45.052269Z","updated_at":"2022-09-04T14:35:45.052297Z","structure_string":"Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n5.448050 0.003106 -0.459791\n-0.095689 7.084608 -1.104709\n0.024422 0.025087 14.759913\nBa Na Ca Ti Si S O\n4 2 1 3 4 2 26\ndirect\n0.415060 0.167827 0.618901 Ba\n0.933045 0.704918 0.705194 Ba\n0.001518 0.996448 0.016279 Ba\n0.483234 0.458242 0.930332 Ba\n0.708850 0.577144 0.317726 Na\n0.207903 0.317827 0.318120 Na\n0.209770 0.856863 0.317493 Ca\n0.391019 0.643591 0.520381 Ti\n0.709211 0.093660 0.318054 Ti\n0.025519 0.520693 0.114877 Ti\n0.529373 0.241088 0.128412 Si\n0.885816 0.922871 0.508026 Si\n0.530708 0.804939 0.125376 Si\n0.887422 0.358462 0.509195 Si\n0.953091 0.283132 0.795009 S\n0.462878 0.880151 0.840528 S\n0.247871 0.785142 0.872329 O\n0.168290 0.377799 0.763172 O\n0.546625 0.838391 0.235861 O\n0.967334 0.051335 0.242995 O\n0.271880 0.696922 0.078779 O\n0.546153 0.273679 0.238897 O\n0.368960 0.611867 0.403810 O\n0.439578 0.850921 0.737388 O\n0.692385 0.785237 0.872113 O\n0.870843 0.889355 0.397665 O\n0.451174 0.096092 0.393233 O\n0.762292 0.323091 0.081790 O\n0.047602 0.562740 0.231423 O\n0.976187 0.312747 0.898191 O\n0.870492 0.324090 0.398571 O\n0.654220 0.841368 0.555408 O\n0.143267 0.841865 0.553749 O\n0.273073 0.322291 0.082551 O\n0.763649 0.695940 0.076947 O\n0.653147 0.467521 0.556715 O\n0.145114 0.466793 0.555805 O\n0.471634 0.081469 0.879648 O\n0.943911 0.081757 0.756123 O\n0.899998 0.153545 0.551020 O\n0.723819 0.378245 0.763298 O\n0.516876 0.010869 0.084514 O\n","nsites":42,"nelements":7,"elements":["Ba","Na","Ca","Ti","Si","S","O"],"chemical_system":"Ba-Ca-Na-O-S-Si-Ti","density":3.9957652648864115,"density_atomic":0.07369342661798843,"volume":569.9287158638906,"volume_molar":8.171883214519987,"formula_full":"Ba4 Na2 Ca1 Ti3 Si4 S2 O26","formula_reduced":"Ba4Na2CaTi3Si4(SO13)2","formula_anonymous":"AB2C2D3E4F4G26","energy_above_hull":2.642633873809524,"spacegroup":1},{"id":"jvasp-43560","created_at":"2022-09-04T14:35:44.951459Z","updated_at":"2022-09-04T14:35:44.951480Z","structure_string":"Li1 V4 O5 F7\n1.0\n4.979421 -0.002907 0.008090\n2.387012 4.701917 0.031790\n2.307519 1.683718 8.316367\nLi V O F\n1 4 5 7\ndirect\n0.428532 0.261208 0.853295 Li\n0.985694 0.989297 0.007074 V\n0.795978 0.728566 0.736219 V\n0.513223 0.519393 0.493345 V\n0.201754 0.263554 0.243900 V\n0.178121 0.186467 0.066978 O\n0.825520 0.423299 0.323900 O\n0.181022 0.564167 0.679156 O\n0.836108 0.837070 0.920445 O\n0.673147 0.671095 0.577789 O\n0.326728 0.314702 0.426873 F\n0.728188 0.386743 0.880616 F\n0.328837 0.951168 0.823285 F\n0.732007 0.129539 0.630854 F\n0.246493 0.877706 0.372837 F\n0.672550 0.067422 0.189330 F\n0.243812 0.622544 0.129758 F\n","nsites":17,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.6182839704562855,"density_atomic":0.08742816540655704,"volume":194.4453474569308,"volume_molar":6.88810148536909,"formula_full":"Li1 V4 O5 F7","formula_reduced":"LiV4O5F7","formula_anonymous":"AB4C5D7","energy_above_hull":1.983862722205883,"spacegroup":1},{"id":"jvasp-48402","created_at":"2022-09-04T14:35:45.130451Z","updated_at":"2022-09-04T14:35:45.130472Z","structure_string":"Mn8 O8 F8\n1.0\n4.508528 0.005553 0.004086\n-0.014911 7.561785 -0.025607\n-0.031792 -0.668699 7.582835\nMn O F\n8 8 8\ndirect\n0.488392 0.951966 0.315661 Mn\n0.483546 0.050996 0.719022 Mn\n0.518220 0.461318 0.811088 Mn\n0.525626 0.563429 0.211571 Mn\n-0.000208 0.184776 0.037085 Mn\n0.044102 0.300731 0.431704 Mn\n0.039060 0.703158 0.535089 Mn\n0.003823 0.782370 0.936069 Mn\n0.728748 0.602501 0.987841 O\n0.733247 0.743577 0.354723 O\n0.713206 0.231725 0.857497 O\n0.274437 0.915167 0.526892 O\n0.245158 0.518817 0.392988 O\n0.231203 0.646820 0.760155 O\n0.224611 0.141786 0.257894 O\n0.204924 0.004033 0.897724 O\n0.266375 0.286373 0.665169 F\n0.256678 0.413818 0.037440 F\n0.240324 0.769791 0.153422 F\n0.743498 0.119051 0.498878 F\n0.782506 0.476852 0.581352 F\n0.762409 0.836789 0.717241 F\n0.734748 0.962710 0.095888 F\n0.755379 0.331449 0.217598 F\n","nsites":24,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.622832394805122,"density_atomic":0.0928640179357035,"volume":258.4424035649302,"volume_molar":6.484902219253065,"formula_full":"Mn8 O8 F8","formula_reduced":"MnOF","formula_anonymous":"ABC","energy_above_hull":1.22987700795977,"spacegroup":1},{"id":"jvasp-42450","created_at":"2022-09-04T14:35:45.339216Z","updated_at":"2022-09-04T14:35:45.339227Z","structure_string":"Li1 V2 O3 F3\n1.0\n4.995146 0.024755 -0.001395\n-2.349338 4.413054 0.009643\n-2.317643 -1.485355 4.440587\nLi V O F\n1 2 3 3\ndirect\n0.582990 0.802973 0.343407 Li\n0.994593 0.488324 0.523068 V\n-0.008559 0.019904 -0.011300 V\n0.066350 0.832759 0.735171 O\n0.898727 0.250736 0.749899 O\n0.899037 0.145993 0.254287 O\n0.154009 0.764898 0.264266 F\n0.501495 0.387234 0.237914 F\n0.500311 0.636764 0.755638 F\n","nsites":9,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.6156855921133575,"density_atomic":0.09165180171756108,"volume":98.19774223026039,"volume_molar":6.570673622498049,"formula_full":"Li1 V2 O3 F3","formula_reduced":"LiV2(OF)3","formula_anonymous":"AB2C3D3","energy_above_hull":1.825598860833333,"spacegroup":1},{"id":"jvasp-42754","created_at":"2022-09-04T14:35:45.510748Z","updated_at":"2022-09-04T14:35:45.510774Z","structure_string":"Fe8 O14 F2\n1.0\n5.224155 0.007720 -0.035008\n1.535105 4.984751 -0.039975\n0.555257 0.406012 8.374707\nFe O F\n8 14 2\ndirect\n0.111283 0.128381 0.383549 Fe\n0.373071 0.390858 0.118322 Fe\n0.493014 0.500636 0.497486 Fe\n0.260798 0.261690 0.751345 Fe\n0.773985 0.723718 0.248132 Fe\n0.628178 0.629602 0.876204 Fe\n0.860131 0.861564 0.614748 Fe\n-0.001313 0.007206 0.011669 Fe\n0.697473 0.306645 0.998097 O\n0.945086 0.553403 0.747850 O\n0.301459 0.703604 0.999408 O\n0.799684 0.196311 0.504040 O\n0.552526 0.948134 0.748946 O\n0.973364 0.971701 0.227403 O\n0.718738 0.718144 0.467976 O\n0.531296 0.524060 0.274444 O\n0.472541 0.478558 0.721819 O\n0.781845 0.776896 0.029496 O\n0.276288 0.275994 0.527890 O\n0.188298 0.802465 0.501748 O\n0.064691 0.436754 0.250632 O\n0.224441 0.228717 0.972247 O\n0.449082 0.050297 0.249648 F\n0.024032 0.024654 0.776891 F\n","nsites":24,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":5.395003039481994,"density_atomic":0.11001749254512125,"volume":218.14712774113562,"volume_molar":5.473802956861749,"formula_full":"Fe8 O14 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F\n0.205107 0.945177 0.394328 F\n0.703717 0.922296 0.850245 F\n0.805650 0.296499 0.097745 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.459299592024427,"density_atomic":0.09540949647421494,"volume":251.5472870825407,"volume_molar":6.311888210863292,"formula_full":"V8 O12 F4","formula_reduced":"V2O3F","formula_anonymous":"AB2C3","energy_above_hull":2.4783131970833336,"spacegroup":1},{"id":"jvasp-98409","created_at":"2022-09-04T14:35:46.195832Z","updated_at":"2022-09-04T14:35:46.195849Z","structure_string":"H16 Pt2 O12\n1.0\n4.172300 3.641201 -0.274649\n-4.168142 3.643803 0.237419\n0.023327 -0.025676 7.329792\nH Pt O\n16 2 12\ndirect\n0.028843 0.025707 0.525787 H\n0.275694 0.121931 0.256949 H\n0.895105 0.376167 0.152626 H\n0.174142 0.527799 0.160208 H\n0.608335 0.116676 0.664657 H\n0.493045 0.832138 0.673872 H\n0.121039 0.591474 0.830443 H\n0.777534 0.400148 0.897273 H\n0.583967 0.226429 0.389038 H\n0.459715 0.547352 0.007183 H\n0.535510 0.473469 0.502143 H\n0.839315 0.748081 0.001552 H\n0.870943 0.832013 0.297405 H\n0.063565 0.051380 -0.020661 H\n0.157811 0.156851 0.727630 H\n0.381125 0.782534 0.412931 H\n0.009652 0.499355 0.502454 Pt\n0.510769 0.007228 0.005847 Pt\n0.602584 -0.035931 0.743404 O\n0.960720 0.573990 0.760263 O\n0.684465 0.354984 0.011796 O\n0.359676 0.656013 0.514864 O\n0.334393 0.661352 0.011438 O\n0.207007 0.146900 0.919309 O\n0.833407 0.885733 0.080620 O\n0.886382 0.815392 0.434789 O\n0.137402 0.178073 0.581608 O\n0.055631 0.405005 0.235962 O\n0.651117 0.338295 0.497808 O\n0.427507 0.046218 0.266541 O\n","nsites":30,"nelements":3,"elements":["H","Pt","O"],"chemical_system":"H-O-Pt","density":4.4606849258495105,"density_atomic":0.13469873891516407,"volume":222.7192343567121,"volume_molar":4.4708219308518276,"formula_full":"H16 Pt2 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F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.331053499795128,"density_atomic":0.08604629408929206,"volume":209.18971805248253,"volume_molar":6.998721820315349,"formula_full":"Mn6 O4 F8","formula_reduced":"Mn3(OF2)2","formula_anonymous":"A2B3C4","energy_above_hull":1.9842422060153255,"spacegroup":1},{"id":"jvasp-3306","created_at":"2022-09-04T14:35:47.371076Z","updated_at":"2022-09-04T14:35:47.371111Z","structure_string":"Si4 P4 Ru1\n1.0\n4.995881 0.004677 -0.000908\n-1.882224 -5.381032 -0.002553\n-2.309013 0.293744 -5.784150\nSi P Ru\n4 4 1\ndirect\n0.670610 0.224481 0.774033 Si\n0.237428 0.655832 0.567814 Si\n0.358537 0.405449 0.119002 Si\n0.844235 0.027844 0.310516 Si\n0.160070 0.983570 0.681091 P\n0.621624 0.588788 0.877532 P\n0.766715 0.357871 0.436428 P\n0.341226 0.772490 0.241186 P\n0.999458 0.001873 0.000896 Ru\n","nsites":9,"nelements":3,"elements":["Si","P","Ru"],"chemical_system":"P-Ru-Si","density":3.602932118254882,"density_atomic":0.05789273616102623,"volume":155.45991771691143,"volume_molar":10.40223896699176,"formula_full":"Si4 P4 Ru1","formula_reduced":"Si4P4Ru","formula_anonymous":"AB4C4","energy_above_hull":3.7644841,"spacegroup":1},{"id":"jvasp-42817","created_at":"2022-09-04T14:35:47.053819Z","updated_at":"2022-09-04T14:35:47.053844Z","structure_string":"Li8 Co1 O5 F1\n1.0\n5.243399 0.008417 -0.027492\n-2.143334 4.814675 0.023259\n-2.461346 -1.228364 5.021623\nLi Co O F\n8 1 5 1\ndirect\n0.241598 0.466366 0.355533 Li\n0.125003 0.229552 0.662022 Li\n0.409856 0.888315 0.647185 Li\n0.719125 0.365371 0.011497 Li\n0.325266 0.682111 0.981022 Li\n0.570909 0.096410 0.342709 Li\n0.900008 0.795154 0.364365 Li\n0.762835 0.523295 0.656944 Li\n0.949739 0.961924 0.974452 Co\n0.495512 0.581123 0.761138 O\n0.865299 0.104412 0.231498 O\n0.161791 0.771198 0.228832 O\n0.811695 0.203110 0.751715 O\n0.115031 0.887458 0.756330 O\n0.546335 0.444205 0.274760 F\n","nsites":15,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":2.799478885568479,"density_atomic":0.11847037794707564,"volume":126.61392881434853,"volume_molar":5.083246009977511,"formula_full":"Li8 Co1 O5 F1","formula_reduced":"Li8CoO5F","formula_anonymous":"ABC5D8","energy_above_hull":1.5845765788333337,"spacegroup":1},{"id":"jvasp-48921","created_at":"2022-09-04T14:35:47.341901Z","updated_at":"2022-09-04T14:35:47.341926Z","structure_string":"Li6 Fe1 O5 F1\n1.0\n5.452032 0.120005 0.049819\n2.638528 4.872090 0.006254\n2.520553 1.636130 4.636001\nLi Fe O F\n6 1 5 1\ndirect\n0.692207 0.465525 0.055338 Li\n0.511787 0.086030 0.748709 Li\n0.914002 0.306352 0.508378 Li\n0.077555 0.706013 0.472231 Li\n0.518247 0.914641 0.267575 Li\n0.256520 0.487509 0.925841 Li\n0.036104 0.987569 0.961646 Fe\n0.359425 0.808626 0.089285 O\n0.923783 0.667347 0.211840 O\n0.209506 0.888687 0.647624 O\n0.101488 0.341098 0.789952 O\n0.656160 0.211697 0.918607 O\n0.778215 0.129264 0.385406 F\n","nsites":13,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":2.69143423395261,"density_atomic":0.1072372144240593,"volume":121.22657297486994,"volume_molar":5.6157191254390675,"formula_full":"Li6 Fe1 O5 F1","formula_reduced":"Li6FeO5F","formula_anonymous":"ABC5D6","energy_above_hull":1.6859571755769232,"spacegroup":1}]}