{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3554","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3552","results":[{"id":"jvasp-43193","created_at":"2022-09-04T14:37:01.806236Z","updated_at":"2022-09-04T14:37:01.806264Z","structure_string":"Li2 V3 Cu1 O8\n1.0\n5.917422 0.096380 0.068151\n3.042178 5.076448 0.068151\n3.042178 1.756402 4.763404\nLi V Cu O\n2 3 1 8\ndirect\n0.123616 0.123616 0.123616 Li\n0.498676 0.498676 0.498675 Li\n0.000632 0.501085 0.501084 V\n0.501085 0.000631 0.501084 V\n0.501085 0.501085 0.000631 V\n0.876438 0.876438 0.876437 Cu\n0.260115 0.260115 0.260115 O\n0.249237 0.249236 0.713377 O\n0.249237 0.713378 0.249236 O\n0.713377 0.249236 0.249236 O\n0.288756 0.747464 0.747463 O\n0.747464 0.288756 0.747463 O\n0.747464 0.747464 0.288755 O\n0.742826 0.742825 0.742824 O\n","nsites":14,"nelements":4,"elements":["Li","V","Cu","O"],"chemical_system":"Cu-Li-O-V","density":4.239577728727271,"density_atomic":0.09977417132294701,"volume":140.31687574417515,"volume_molar":6.035771262391803,"formula_full":"Li2 V3 Cu1 O8","formula_reduced":"Li2V3CuO8","formula_anonymous":"AB2C3D8","energy_above_hull":2.780053646428572,"spacegroup":160},{"id":"jvasp-13337","created_at":"2022-09-04T14:36:55.778310Z","updated_at":"2022-09-04T14:36:55.778330Z","structure_string":"Ti2 Co4 O8\n1.0\n5.968908 -0.009129 -0.085785\n2.976547 5.173789 -0.085785\n2.911775 1.681114 4.754909\nTi Co O\n2 4 8\ndirect\n0.125000 0.624999 0.625001 Ti\n0.625000 0.124999 0.625001 Ti\n0.009817 0.009816 0.990183 Co\n0.240183 0.240182 0.259818 Co\n0.625000 0.624999 0.125001 Co\n0.625000 0.624999 0.625001 Co\n0.374864 0.374863 0.395662 O\n0.367124 0.847000 0.392939 O\n0.374864 0.374863 0.854611 O\n0.847001 0.367123 0.392939 O\n0.402999 0.882875 0.857064 O\n0.882876 0.402998 0.857064 O\n0.875136 0.875135 0.395391 O\n0.875136 0.875135 0.854341 O\n","nsites":14,"nelements":3,"elements":["Ti","Co","O"],"chemical_system":"Co-O-Ti","density":5.1309740486245445,"density_atomic":0.09415191906490979,"volume":148.6958538821517,"volume_molar":6.396195446476501,"formula_full":"Ti2 Co4 O8","formula_reduced":"Ti(CoO2)2","formula_anonymous":"AB2C4","energy_above_hull":3.004512019047619,"spacegroup":74},{"id":"jvasp-13341","created_at":"2022-09-04T14:36:56.593402Z","updated_at":"2022-09-04T14:36:56.593421Z","structure_string":"Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 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O\n0.715768 0.737914 0.239940 O\n0.736061 0.263939 0.208183 O\n0.262086 0.737914 0.239940 O\n0.262086 0.284232 0.239940 O\n","nsites":14,"nelements":4,"elements":["Li","V","Co","O"],"chemical_system":"Co-Li-O-V","density":4.715286976865102,"density_atomic":0.10755574679322329,"volume":130.16505781801789,"volume_molar":5.599087858668873,"formula_full":"Li2 V1 Co3 O8","formula_reduced":"Li2VCo3O8","formula_anonymous":"AB2C3D8","energy_above_hull":2.9523624928571426,"spacegroup":166},{"id":"jvasp-30422","created_at":"2022-09-04T14:37:05.561635Z","updated_at":"2022-09-04T14:37:05.561653Z","structure_string":"V4 O10\n1.0\n11.734342 0.000000 0.000000\n0.000000 3.563802 0.000000\n0.000000 0.000000 4.292082\nV O\n4 10\ndirect\n0.147837 0.000000 0.889251 V\n0.352163 0.500000 0.110749 V\n0.647836 0.500000 0.110749 V\n0.852163 0.000000 0.889251 V\n0.000000 0.000000 0.992650 O\n0.146074 0.000000 0.514002 O\n0.181800 0.500000 0.995906 O\n0.318200 0.000000 0.004094 O\n0.353925 0.500000 0.485997 O\n0.500000 0.500000 0.007349 O\n0.646074 0.500000 0.485997 O\n0.681800 0.000000 0.004094 O\n0.818199 0.500000 0.995906 O\n0.853925 0.000000 0.514002 O\n","nsites":14,"nelements":2,"elements":["V","O"],"chemical_system":"O-V","density":3.3652994863128094,"density_atomic":0.07799876319108491,"volume":179.49002557517693,"volume_molar":7.7208157073551105,"formula_full":"V4 O10","formula_reduced":"V2O5","formula_anonymous":"A2B5","energy_above_hull":3.042929414285714,"spacegroup":59},{"id":"jvasp-13287","created_at":"2022-09-04T14:37:02.996504Z","updated_at":"2022-09-04T14:37:02.996529Z","structure_string":"Ga4 Ni2 O8\n1.0\n5.899763 0.035844 0.032187\n2.980924 5.091423 0.032187\n2.986509 1.724262 4.876949\nGa Ni O\n4 2 8\ndirect\n0.992746 0.992745 0.007255 Ga\n0.257253 0.257253 0.242747 Ga\n0.624999 0.624999 0.125001 Ga\n0.625000 0.624999 0.625001 Ga\n0.125000 0.624999 0.625001 Ni\n0.625000 0.124999 0.625001 Ni\n0.387438 0.387438 0.371190 O\n0.387439 0.387438 0.853935 O\n0.388195 0.858222 0.376791 O\n0.858223 0.388195 0.376791 O\n0.391776 0.861803 0.873211 O\n0.861804 0.391775 0.873211 O\n0.862561 0.862560 0.396067 O\n0.862561 0.862559 0.878812 O\n","nsites":14,"nelements":3,"elements":["Ga","Ni","O"],"chemical_system":"Ga-Ni-O","density":5.990528408579688,"density_atomic":0.09633536555693735,"volume":145.3256539699903,"volume_molar":6.251225316045246,"formula_full":"Ga4 Ni2 O8","formula_reduced":"Ga2NiO4","formula_anonymous":"AB2C4","energy_above_hull":1.35928015,"spacegroup":74},{"id":"jvasp-53578","created_at":"2022-09-04T14:36:46.308018Z","updated_at":"2022-09-04T14:36:46.308051Z","structure_string":"Tb4 Pb2 S8\n1.0\n6.957101 -0.012538 -2.452029\n-3.489409 6.018758 -2.452029\n0.007239 0.012538 7.376562\nTb Pb S\n4 2 8\ndirect\n0.118796 0.750001 0.868795 Tb\n0.250000 0.618796 0.368795 Tb\n0.381205 0.250000 0.631205 Tb\n0.750000 0.881205 0.131205 Tb\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.750000 Pb\n0.013378 0.861485 0.496207 S\n0.138515 0.134723 0.151893 S\n0.361485 0.513378 0.996207 S\n0.634723 0.638516 0.651893 S\n0.486622 0.982830 0.848107 S\n0.482830 0.986623 0.348107 S\n0.865277 0.517170 0.003792 S\n0.017170 0.365278 0.503793 S\n","nsites":14,"nelements":3,"elements":["Tb","Pb","S"],"chemical_system":"Pb-S-Tb","density":7.022008897170923,"density_atomic":0.04530963323874005,"volume":308.98506563125085,"volume_molar":13.291082556923076,"formula_full":"Tb4 Pb2 S8","formula_reduced":"Tb2PbS4","formula_anonymous":"AB2C4","energy_above_hull":1.4935282314285714,"spacegroup":122},{"id":"jvasp-13345","created_at":"2022-09-04T14:36:56.209388Z","updated_at":"2022-09-04T14:36:56.209410Z","structure_string":"Pr4 Cd2 S8\n1.0\n7.471869 0.178088 0.000000\n-2.322720 7.103909 0.000000\n-2.574576 -3.640999 5.997937\nPr Cd S\n4 2 8\ndirect\n0.115152 0.750000 0.865153 Pr\n0.250000 0.615153 0.365153 Pr\n0.384847 0.250000 0.634848 Pr\n0.750000 0.884848 0.134848 Pr\n0.625000 0.375000 0.250000 Cd\n0.875000 0.125000 0.750000 Cd\n0.991933 0.365262 0.485994 S\n0.508067 0.994062 0.373329 S\n0.120733 0.134738 0.126671 S\n0.379267 0.505939 0.014006 S\n0.494061 0.008068 0.873330 S\n0.634738 0.620734 0.626671 S\n0.005938 0.879267 0.514006 S\n0.865262 0.491933 0.985995 S\n","nsites":14,"nelements":3,"elements":["Pr","Cd","S"],"chemical_system":"Cd-Pr-S","density":5.408217175789366,"density_atomic":0.04363431457084305,"volume":320.84839965275773,"volume_molar":13.801387323783157,"formula_full":"Pr4 Cd2 S8","formula_reduced":"Pr2CdS4","formula_anonymous":"AB2C4","energy_above_hull":1.2326170642857142,"spacegroup":122},{"id":"jvasp-11178","created_at":"2022-09-04T14:37:03.184526Z","updated_at":"2022-09-04T14:37:03.184553Z","structure_string":"Lu4 Mg2 S8\n1.0\n6.700728 -0.000000 3.868667\n2.233576 6.317507 3.868667\n-0.000000 -0.000000 7.737334\nLu Mg S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.875001 0.875000 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n0.255677 0.255677 0.732971 S\n0.744324 0.744324 0.744323 S\n0.744324 0.744324 0.267028 S\n0.255677 0.732972 0.255676 S\n0.255677 0.255677 0.255676 S\n0.267029 0.744324 0.744323 S\n0.744324 0.267029 0.744323 S\n0.732972 0.255677 0.255676 S\n","nsites":14,"nelements":3,"elements":["Lu","Mg","S"],"chemical_system":"Lu-Mg-S","density":5.095129531773245,"density_atomic":0.042743390671349545,"volume":327.5360185541868,"volume_molar":14.089057197880603,"formula_full":"Lu4 Mg2 S8","formula_reduced":"Lu2MgS4","formula_anonymous":"AB2C4","energy_above_hull":1.2379515071428568,"spacegroup":227},{"id":"jvasp-13358","created_at":"2022-09-04T14:37:02.059856Z","updated_at":"2022-09-04T14:37:02.059875Z","structure_string":"Al5 Cu1 Se8\n1.0\n7.503843 0.000000 -0.000000\n3.751922 6.498519 0.000000\n3.751922 2.166173 6.126862\nAl Cu Se\n5 1 8\ndirect\n0.250000 0.250000 0.250000 Al\n0.104198 0.631934 0.631934 Al\n0.631934 0.631934 0.104198 Al\n0.631934 0.104198 0.631934 Al\n0.631934 0.631934 0.631934 Al\n0.000000 0.000000 0.000000 Cu\n0.383604 0.383604 0.383604 Se\n0.383603 0.849188 0.383604 Se\n0.383604 0.383604 0.849187 Se\n0.849187 0.383604 0.383604 Se\n0.393879 0.868707 0.868707 Se\n0.868706 0.868707 0.393880 Se\n0.868706 0.393879 0.868707 Se\n0.868706 0.868707 0.868707 Se\n","nsites":14,"nelements":3,"elements":["Al","Cu","Se"],"chemical_system":"Al-Cu-Se","density":4.613822771404699,"density_atomic":0.0468588693375346,"volume":298.76947945873303,"volume_molar":12.851656143517278,"formula_full":"Al5 Cu1 Se8","formula_reduced":"Al5CuSe8","formula_anonymous":"AB5C8","energy_above_hull":1.6308058130952383,"spacegroup":216},{"id":"jvasp-48611","created_at":"2022-09-04T14:36:46.343945Z","updated_at":"2022-09-04T14:36:46.343955Z","structure_string":"Li7 Mn1 O3 F3\n1.0\n5.278955 0.053137 -0.056603\n2.523964 5.006111 -0.064503\n2.111085 1.756440 5.051490\nLi Mn O F\n7 1 3 3\ndirect\n0.552801 0.853576 0.365867 Li\n0.115091 0.778806 0.651349 Li\n0.620591 0.697042 0.004753 Li\n0.397080 0.250688 0.997694 Li\n0.876980 0.223912 0.397628 Li\n0.217390 0.547855 0.333220 Li\n0.479971 0.114134 0.620863 Li\n0.945719 0.076110 0.002412 Mn\n0.229658 0.920999 0.239831 O\n0.768785 0.040624 0.775637 O\n0.571595 0.252582 0.246295 O\n0.442107 0.762605 0.727259 F\n0.892408 0.578521 0.249207 F\n0.154547 0.410079 0.726758 F\n","nsites":14,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":2.5886813819694763,"density_atomic":0.10466778674542522,"volume":133.75653040272113,"volume_molar":5.7535760975314725,"formula_full":"Li7 Mn1 O3 F3","formula_reduced":"Li7Mn(OF)3","formula_anonymous":"AB3C3D7","energy_above_hull":1.2353734706342363,"spacegroup":1},{"id":"jvasp-42484","created_at":"2022-09-04T14:36:54.174008Z","updated_at":"2022-09-04T14:36:54.174029Z","structure_string":"Na2 Cr4 O8\n1.0\n-4.265716 4.265716 -0.000000\n4.265716 0.000000 4.265716\n4.265716 4.265716 -0.000000\nNa Cr O\n2 4 8\ndirect\n0.625001 0.250000 0.625001 Na\n0.375000 0.750001 0.375000 Na\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.810603 0.040401 0.229799 O\n0.770201 0.540402 0.189398 O\n0.229799 0.040401 0.229799 O\n0.229799 0.459599 0.229799 O\n0.770201 0.540402 0.770201 O\n0.770201 0.959599 0.770201 O\n0.229799 0.459599 0.810603 O\n0.189398 0.959599 0.770201 O\n","nsites":14,"nelements":3,"elements":["Na","Cr","O"],"chemical_system":"Cr-Na-O","density":4.085640907798414,"density_atomic":0.09018249082866121,"volume":155.2407775762012,"volume_molar":6.6777272446838225,"formula_full":"Na2 Cr4 O8","formula_reduced":"NaCr2O4","formula_anonymous":"AB2C4","energy_above_hull":2.7225854000000003,"spacegroup":227}]}