{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4362","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4360","results":[{"id":"jvasp-43498","created_at":"2022-09-04T14:36:35.440981Z","updated_at":"2022-09-04T14:36:35.440997Z","structure_string":"Ba2 Ti6 N2 O11\n1.0\n3.904715 -0.001929 0.000543\n-1.948722 7.728349 -0.006629\n-0.001671 -1.266554 9.168893\nBa Ti N O\n2 6 2 11\ndirect\n0.547833 0.095852 0.773563 Ba\n0.448262 0.896776 0.235643 Ba\n0.113998 0.228240 0.094341 Ti\n0.170665 0.341574 0.439498 Ti\n0.239079 0.478315 0.771718 Ti\n0.750742 0.501735 0.220818 Ti\n0.831653 0.663516 0.559299 Ti\n0.883356 0.766877 0.911590 Ti\n0.639422 0.279093 0.111313 N\n0.997546 0.995281 0.000140 N\n0.831572 0.663343 0.088535 O\n0.358155 0.716471 0.882839 O\n0.298013 0.596233 0.571152 O\n0.243970 0.488179 0.251365 O\n0.074096 0.148447 0.302929 O\n0.702441 0.405124 0.428854 O\n0.167274 0.334749 0.908534 O\n0.130871 0.261920 0.617003 O\n0.875276 0.750806 0.390575 O\n0.755765 0.511710 0.753634 O\n0.925200 0.850586 0.704285 O\n","nsites":21,"nelements":4,"elements":["Ba","Ti","N","O"],"chemical_system":"Ba-N-O-Ti","density":4.597381630456027,"density_atomic":0.07591538140093194,"volume":276.62378311837347,"volume_molar":7.932701711916938,"formula_full":"Ba2 Ti6 N2 O11","formula_reduced":"Ba2Ti6N2O11","formula_anonymous":"A2B2C6D11","energy_above_hull":3.436228901904762,"spacegroup":8},{"id":"jvasp-101705","created_at":"2022-09-04T14:36:36.312694Z","updated_at":"2022-09-04T14:36:36.312722Z","structure_string":"Na2 Mn3 Te4\n1.0\n7.992843 0.032908 3.826497\n6.741026 4.294788 3.826497\n0.024061 0.007067 7.781267\nNa Mn Te\n2 3 4\ndirect\n0.237382 0.237383 0.767272 Na\n0.744631 0.744633 0.246269 Na\n0.573335 0.573337 0.770069 Mn\n0.940193 0.940195 0.709031 Mn\n0.447644 0.447645 0.237279 Mn\n0.869536 0.869538 0.458004 Te\n0.384428 0.384429 0.952326 Te\n0.117536 0.117537 0.536861 Te\n0.620519 0.620520 0.051893 Te\n","nsites":9,"nelements":3,"elements":["Na","Mn","Te"],"chemical_system":"Mn-Na-Te","density":4.519822646805024,"density_atomic":0.033967446300392,"volume":264.9595710083197,"volume_molar":17.72915369245907,"formula_full":"Na2 Mn3 Te4","formula_reduced":"Na2Mn3Te4","formula_anonymous":"A2B3C4","energy_above_hull":1.931243421200511,"spacegroup":8},{"id":"jvasp-44728","created_at":"2022-09-04T14:36:36.871974Z","updated_at":"2022-09-04T14:36:36.871998Z","structure_string":"V2 Cr3 Sb3 O16\n1.0\n6.054840 -0.022211 -0.064084\n-3.046660 5.276856 -0.000024\n-0.093195 -0.053815 8.880746\nV Cr Sb O\n2 3 3 16\ndirect\n0.302735 0.651377 0.479887 V\n0.646326 0.323172 0.003862 V\n0.171853 0.835207 0.205905 Cr\n0.171853 0.336661 0.205907 Cr\n0.340906 0.170462 0.707221 Cr\n0.666033 0.833026 0.211565 Sb\n0.837934 0.666933 0.712959 Sb\n0.837931 0.171014 0.712964 Sb\n0.826621 0.653297 0.098885 O\n0.664755 0.332383 0.591209 O\n0.524824 0.053490 0.839605 O\n0.524827 0.471354 0.839603 O\n0.662354 0.831186 0.599916 O\n0.347960 0.173991 0.103290 O\n0.469947 0.520706 0.344915 O\n0.011920 0.005966 0.311125 O\n0.166706 0.337495 0.600494 O\n0.014968 0.007491 0.823162 O\n0.963168 0.481594 0.849120 O\n0.328721 0.664364 0.096501 O\n0.054379 0.527199 0.333351 O\n0.166706 0.829233 0.600491 O\n0.469944 0.949255 0.344913 O\n0.826619 0.173340 0.098887 O\n","nsites":24,"nelements":4,"elements":["V","Cr","Sb","O"],"chemical_system":"Cr-O-Sb-V","density":5.156628829521412,"density_atomic":0.08477526115077987,"volume":283.10145759756494,"volume_molar":7.103653445890448,"formula_full":"V2 Cr3 Sb3 O16","formula_reduced":"V2Cr3Sb3O16","formula_anonymous":"A2B3C3D16","energy_above_hull":3.456848120833333,"spacegroup":8},{"id":"jvasp-102165","created_at":"2022-09-04T14:36:37.328720Z","updated_at":"2022-09-04T14:36:37.328735Z","structure_string":"W4 N6\n1.0\n4.944424 0.001897 0.792613\n-2.639979 4.180651 0.792613\n-0.000571 -0.001036 5.371461\nW N\n4 6\ndirect\n0.330614 0.993546 0.008951 W\n0.677416 0.677417 0.983902 W\n0.993546 0.330615 0.008951 W\n0.492285 0.492286 0.521588 W\n0.092854 0.092854 0.749740 N\n0.411527 0.746475 0.747128 N\n0.746475 0.411527 0.747128 N\n0.263568 0.580278 0.250727 N\n0.904093 0.904094 0.253150 N\n0.580278 0.263568 0.250727 N\n","nsites":10,"nelements":2,"elements":["W","N"],"chemical_system":"N-W","density":12.250566213958871,"density_atomic":0.0900349232959127,"volume":111.06801265475136,"volume_molar":6.68867206140374,"formula_full":"W4 N6","formula_reduced":"W2N3","formula_anonymous":"A2B3","energy_above_hull":6.541457950000001,"spacegroup":8},{"id":"jvasp-100561","created_at":"2022-09-04T14:36:39.235034Z","updated_at":"2022-09-04T14:36:39.235061Z","structure_string":"Fe1 Co2 Se4\n1.0\n5.575031 0.014806 2.829253\n4.443029 3.367593 2.829253\n-0.010649 -0.003595 6.099722\nFe Co Se\n1 2 4\ndirect\n0.740124 0.740124 0.292240 Fe\n0.996640 0.996641 0.002010 Co\n0.263979 0.263977 0.705557 Co\n0.115543 0.115542 0.551195 Se\n0.885184 0.885183 0.452252 Se\n0.364478 0.364476 0.975897 Se\n0.634054 0.634054 0.020844 Se\n","nsites":7,"nelements":3,"elements":["Fe","Co","Se"],"chemical_system":"Co-Fe-Se","density":7.116505865943406,"density_atomic":0.06127981791905655,"volume":114.23010442436657,"volume_molar":9.827282398186204,"formula_full":"Fe1 Co2 Se4","formula_reduced":"Fe(CoSe2)2","formula_anonymous":"AB2C4","energy_above_hull":2.499345823809524,"spacegroup":8},{"id":"jvasp-101125","created_at":"2022-09-04T14:36:43.576254Z","updated_at":"2022-09-04T14:36:43.576273Z","structure_string":"Rb1 Na1 Cd3 O4\n1.0\n5.020059 0.028824 4.601652\n3.646152 3.450710 4.601652\n0.068314 0.027428 9.164324\nRb Na Cd O\n1 1 3 4\ndirect\n0.995159 0.995158 0.003591 Rb\n0.180301 0.180302 0.451263 Na\n0.808577 0.808577 0.553497 Cd\n0.379343 0.379344 0.801740 Cd\n0.629403 0.629402 0.194414 Cd\n0.240166 0.240166 0.152907 O\n0.765712 0.765712 0.833024 O\n0.597341 0.597341 0.652693 O\n0.403995 0.403995 0.356869 O\n","nsites":9,"nelements":4,"elements":["Rb","Na","Cd","O"],"chemical_system":"Cd-Na-O-Rb","density":5.406677902865108,"density_atomic":0.05749358061234559,"volume":156.53921540707503,"volume_molar":10.47445766268185,"formula_full":"Rb1 Na1 Cd3 O4","formula_reduced":"RbNaCd3O4","formula_anonymous":"ABC3D4","energy_above_hull":0.1603813611111112,"spacegroup":8},{"id":"jvasp-103512","created_at":"2022-09-04T14:36:40.567867Z","updated_at":"2022-09-04T14:36:40.567891Z","structure_string":"Ca2 Zn1 Ga3\n1.0\n4.449177 -0.000715 3.650526\n2.194696 3.870206 3.650526\n-0.004303 -0.002506 7.323898\nCa Zn Ga\n2 1 3\ndirect\n0.459086 0.459086 0.791044 Ca\n0.542563 0.542564 0.208426 Ca\n0.833309 0.833309 0.608850 Zn\n0.159436 0.159436 0.394211 Ga\n0.165341 0.165340 0.781145 Ga\n0.840268 0.840269 0.216323 Ga\n","nsites":6,"nelements":3,"elements":["Ca","Zn","Ga"],"chemical_system":"Ca-Ga-Zn","density":4.667410291954764,"density_atomic":0.04754176668580582,"volume":126.2048177479987,"volume_molar":12.667052951143239,"formula_full":"Ca2 Zn1 Ga3","formula_reduced":"Ca2ZnGa3","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":8},{"id":"jvasp-79298","created_at":"2022-09-04T14:36:40.825557Z","updated_at":"2022-09-04T14:36:40.825579Z","structure_string":"Mn1 In2 W1\n1.0\n-0.144547 3.442704 3.525709\n5.009627 0.510584 2.628126\n5.000188 2.638948 0.549346\nMn In W\n1 2 1\ndirect\n0.477959 0.468944 0.468875 Mn\n0.943037 0.018712 0.018758 In\n0.308624 0.230929 0.230995 In\n0.770381 0.781420 0.781364 W\n","nsites":4,"nelements":3,"elements":["Mn","In","W"],"chemical_system":"In-Mn-W","density":10.463319430003208,"density_atomic":0.0538084484175514,"volume":74.33776883808581,"volume_molar":11.191812693182362,"formula_full":"Mn1 In2 W1","formula_reduced":"MnIn2W","formula_anonymous":"ABC2","energy_above_hull":2.904044295344828,"spacegroup":8},{"id":"jvasp-102744","created_at":"2022-09-04T14:36:41.268766Z","updated_at":"2022-09-04T14:36:41.268791Z","structure_string":"Hg2 I1 Br3\n1.0\n4.219624 0.237045 0.051357\n1.593461 3.914371 0.051357\n-0.104633 -0.074724 12.719716\nHg I Br\n2 1 3\ndirect\n0.840590 0.840592 0.444195 Hg\n0.158045 0.158046 0.927782 Hg\n0.569559 0.569561 0.296505 I\n0.431175 0.431177 0.799576 Br\n0.110579 0.110579 0.575526 Br\n0.890048 0.890050 0.059459 Br\n","nsites":6,"nelements":3,"elements":["Hg","I","Br"],"chemical_system":"Br-Hg-I","density":6.209632424449247,"density_atomic":0.0292228073469651,"volume":205.31908275483065,"volume_molar":20.607673617727983,"formula_full":"Hg2 I1 Br3","formula_reduced":"Hg2IBr3","formula_anonymous":"AB2C3","energy_above_hull":0.0,"spacegroup":8},{"id":"jvasp-13302","created_at":"2022-09-04T14:36:41.298239Z","updated_at":"2022-09-04T14:36:41.298269Z","structure_string":"Na3 U1 F7\n1.0\n5.558738 0.157912 -0.322217\n0.157912 5.558738 -0.322217\n-2.621393 -2.621393 5.704527\nNa U F\n3 1 7\ndirect\n0.229726 0.773626 0.524170 Na\n0.503332 0.503332 0.969564 Na\n0.773626 0.229726 0.524170 Na\n0.964298 0.964298 0.980921 U\n0.165380 0.165380 0.853936 F\n0.093372 0.619037 0.737407 F\n0.367282 0.931581 0.234132 F\n0.619037 0.093372 0.737407 F\n0.604486 0.604486 0.716685 F\n0.931581 0.367282 0.234132 F\n0.872884 0.872884 0.237474 F\n","nsites":11,"nelements":3,"elements":["Na","U","F"],"chemical_system":"F-Na-U","density":4.374905448535684,"density_atomic":0.06586768114637435,"volume":167.00147642294053,"volume_molar":9.142785437697901,"formula_full":"Na3 U1 F7","formula_reduced":"Na3UF7","formula_anonymous":"AB3C7","energy_above_hull":0.0166129886363636,"spacegroup":8},{"id":"jvasp-102658","created_at":"2022-09-04T14:36:41.326624Z","updated_at":"2022-09-04T14:36:41.326644Z","structure_string":"V2 Fe1 Te4\n1.0\n6.223090 0.034072 3.367678\n4.939877 3.784921 3.367678\n0.018393 0.006292 6.861470\nV Fe Te\n2 1 4\ndirect\n0.995927 0.995925 0.002621 V\n0.251718 0.251717 0.727458 V\n0.751616 0.751614 0.272856 Fe\n0.881862 0.881860 0.455004 Te\n0.121224 0.121223 0.532925 Te\n0.630130 0.630129 0.040987 Te\n0.367528 0.367527 0.968152 Te\n","nsites":7,"nelements":3,"elements":["V","Fe","Te"],"chemical_system":"Fe-Te-V","density":6.925421517164693,"density_atomic":0.0436953761093351,"volume":160.20001710214177,"volume_molar":13.782100753478643,"formula_full":"V2 Fe1 Te4","formula_reduced":"V2FeTe4","formula_anonymous":"AB2C4","energy_above_hull":2.548826423809524,"spacegroup":8},{"id":"jvasp-48135","created_at":"2022-09-04T14:36:41.830494Z","updated_at":"2022-09-04T14:36:41.830503Z","structure_string":"Fe4 O1 F7\n1.0\n-4.807647 -0.059295 0.000000\n0.058702 4.859027 -3.080002\n-0.058702 -4.859027 -3.080002\nFe O F\n4 1 7\ndirect\n0.511738 0.005276 0.494723 Fe\n0.508300 0.504777 0.995222 Fe\n0.989548 0.472884 0.483705 Fe\n0.989548 0.016295 0.027116 Fe\n0.787139 0.147948 0.352052 O\n0.796892 0.655308 0.844691 F\n0.708478 0.153836 0.853430 F\n0.708478 0.646570 0.346163 F\n0.288828 0.843229 0.146847 F\n0.288828 0.353152 0.656771 F\n0.219568 0.354052 0.145947 F\n0.202663 0.846675 0.653324 F\n","nsites":12,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.29757579990028,"density_atomic":0.0834032707815065,"volume":143.87924942939804,"volume_molar":7.220509104224873,"formula_full":"Fe4 O1 F7","formula_reduced":"Fe4OF7","formula_anonymous":"AB4C7","energy_above_hull":1.3728881231249996,"spacegroup":8}]}