{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=3372","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=3370","results":[{"id":"jvasp-24307","created_at":"2022-09-04T14:38:06.237428Z","updated_at":"2022-09-04T14:38:06.237455Z","structure_string":"Sb4 Te4 Cl4 O12\n1.0\n5.456733 -0.000000 0.000000\n0.000000 7.135830 0.000000\n0.000000 0.000000 11.307374\nSb Te Cl O\n4 4 4 12\ndirect\n0.250000 0.920119 0.752803 Sb\n0.750000 0.079881 0.247197 Sb\n0.750000 0.420119 0.747197 Sb\n0.250000 0.579881 0.252803 Sb\n0.750000 0.826595 0.933329 Te\n0.750000 0.673405 0.433330 Te\n0.250000 0.173405 0.066670 Te\n0.250000 0.326595 0.566670 Te\n0.250000 0.600363 0.926080 Cl\n0.750000 0.399637 0.073920 Cl\n0.750000 0.100363 0.573919 Cl\n0.250000 0.899637 0.426080 Cl\n0.002342 0.499541 0.623365 O\n0.997657 0.999541 0.876635 O\n0.002342 0.000459 0.123365 O\n0.750000 0.797379 0.281809 O\n0.497658 0.499541 0.623365 O\n0.997657 0.500459 0.376635 O\n0.502342 0.500459 0.376635 O\n0.750000 0.702621 0.781808 O\n0.497658 0.000459 0.123365 O\n0.502342 0.999541 0.876635 O\n0.250000 0.202621 0.718191 O\n0.250000 0.297379 0.218191 O\n","nsites":24,"nelements":4,"elements":["Sb","Te","Cl","O"],"chemical_system":"Cl-O-Sb-Te","density":5.02074385746874,"density_atomic":0.054509510929976364,"volume":440.29013635493294,"volume_molar":11.047871568204165,"formula_full":"Sb4 Te4 Cl4 O12","formula_reduced":"SbTeClO3","formula_anonymous":"ABCD3","energy_above_hull":1.6218114056944448,"spacegroup":62},{"id":"jvasp-37106","created_at":"2022-09-04T14:38:06.238204Z","updated_at":"2022-09-04T14:38:06.238221Z","structure_string":"Sc2 Mn1 C1\n1.0\n2.995688 2.995688 -0.000000\n2.995688 0.000000 -2.995688\n0.000000 2.995688 -2.995688\nSc Mn C\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 C\n","nsites":4,"nelements":3,"elements":["Sc","Mn","C"],"chemical_system":"C-Mn-Sc","density":4.8444351724992165,"density_atomic":0.07439440187563523,"volume":53.767486519843,"volume_molar":8.094884303347428,"formula_full":"Sc2 Mn1 C1","formula_reduced":"Sc2MnC","formula_anonymous":"ABC2","energy_above_hull":3.9628919353448273,"spacegroup":225},{"id":"jvasp-11476","created_at":"2022-09-04T14:38:06.246881Z","updated_at":"2022-09-04T14:38:06.246909Z","structure_string":"Ti2 Ni2 O6\n1.0\n4.473728 -0.003391 3.074402\n1.615903 4.171617 3.074273\n-0.004736 -0.003408 5.428095\nTi Ni O\n2 2 6\ndirect\n0.143892 0.143905 0.143900 Ti\n0.856107 0.856096 0.856101 Ti\n0.650856 0.650858 0.650859 Ni\n0.349143 0.349143 0.349142 Ni\n0.945579 0.236105 0.561658 O\n0.561650 0.945582 0.236110 O\n0.236103 0.561654 0.945581 O\n0.054420 0.763896 0.438343 O\n0.438349 0.054419 0.763891 O\n0.763896 0.438347 0.054420 O\n","nsites":10,"nelements":3,"elements":["Ti","Ni","O"],"chemical_system":"Ni-O-Ti","density":5.06098030609644,"density_atomic":0.09859669988416424,"volume":101.4232729061768,"volume_molar":6.1078522578089105,"formula_full":"Ti2 Ni2 O6","formula_reduced":"TiNiO3","formula_anonymous":"ABC3","energy_above_hull":2.1269062466666666,"spacegroup":148},{"id":"jvasp-49995","created_at":"2022-09-04T14:38:06.249044Z","updated_at":"2022-09-04T14:38:06.249070Z","structure_string":"Ce2 Se1 O2\n1.0\n-1.965268 1.965268 6.158975\n1.965268 -1.965268 6.158975\n1.965268 1.965268 -6.158975\nCe Se O\n2 1 2\ndirect\n0.351872 0.351872 0.000000 Ce\n0.648129 0.648129 0.000000 Ce\n0.000000 0.000000 0.000000 Se\n0.750001 0.250000 0.500001 O\n0.250000 0.750001 0.500001 O\n","nsites":5,"nelements":3,"elements":["Ce","Se","O"],"chemical_system":"Ce-O-Se","density":6.826934436112118,"density_atomic":0.05254821962552045,"volume":95.15070226226487,"volume_molar":11.460218448724191,"formula_full":"Ce2 Se1 O2","formula_reduced":"Ce2SeO2","formula_anonymous":"AB2C2","energy_above_hull":1.6267942733333327,"spacegroup":139},{"id":"jvasp-39261","created_at":"2022-09-04T14:38:06.250814Z","updated_at":"2022-09-04T14:38:06.250839Z","structure_string":"K3 Si1\n1.0\n0.000000 4.183231 4.183231\n4.183231 -0.000000 4.183231\n4.183231 4.183231 0.000000\nK Si\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Si\n","nsites":4,"nelements":2,"elements":["K","Si"],"chemical_system":"K-Si","density":1.6488814024398828,"density_atomic":0.027320865551259198,"volume":146.40824583303302,"volume_molar":22.042276620780207,"formula_full":"K3 Si1","formula_reduced":"K3Si","formula_anonymous":"AB3","energy_above_hull":0.1330556499999998,"spacegroup":225},{"id":"jvasp-19794","created_at":"2022-09-04T14:38:06.253488Z","updated_at":"2022-09-04T14:38:06.253521Z","structure_string":"Zn2 Pd2\n1.0\n3.426949 0.000000 -0.000000\n0.000000 4.105210 0.000000\n0.000000 0.000000 4.105210\nZn Pd\n2 2\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n","nsites":4,"nelements":2,"elements":["Zn","Pd"],"chemical_system":"Pd-Zn","density":9.880914882937905,"density_atomic":0.06925985751321882,"volume":57.75351182662434,"volume_molar":8.694994440106413,"formula_full":"Zn2 Pd2","formula_reduced":"ZnPd","formula_anonymous":"AB","energy_above_hull":0.3205635666666667,"spacegroup":123},{"id":"jvasp-45255","created_at":"2022-09-04T14:38:06.255099Z","updated_at":"2022-09-04T14:38:06.255124Z","structure_string":"Na4 Sn2 Te2 O12\n1.0\n0.000000 5.459253 0.001028\n5.544474 0.000000 0.000000\n0.000000 -5.459594 -7.785571\nNa Sn Te O\n4 2 2 12\ndirect\n0.240649 0.956288 0.250408 Na\n0.759351 0.456289 0.249592 Na\n0.240649 0.543711 0.750408 Na\n0.759351 0.043711 0.749592 Na\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.663225 0.029550 0.258786 O\n0.336775 0.529549 0.241213 O\n0.138952 0.789359 0.949387 O\n0.861049 0.289359 0.550613 O\n0.861048 0.210641 0.050613 O\n0.756751 0.694344 0.048126 O\n0.243249 0.305655 0.951873 O\n0.756751 0.805655 0.548126 O\n0.663225 0.470450 0.758786 O\n0.243249 0.194344 0.451874 O\n0.138951 0.710640 0.449387 O\n0.336775 0.970450 0.741213 O\n","nsites":20,"nelements":4,"elements":["Na","Sn","Te","O"],"chemical_system":"Na-O-Sn-Te","density":5.47273053944607,"density_atomic":0.08487959616490624,"volume":235.62788825177125,"volume_molar":7.094921550168585,"formula_full":"Na4 Sn2 Te2 O12","formula_reduced":"Na2SnTeO6","formula_anonymous":"ABC2D6","energy_above_hull":1.562595846666667,"spacegroup":14},{"id":"jvasp-4705","created_at":"2022-09-04T14:38:06.258049Z","updated_at":"2022-09-04T14:38:06.258075Z","structure_string":"Au2 Se2\n1.0\n2.072073 -3.588934 0.000000\n2.072073 3.588934 0.000000\n0.000000 0.000000 5.801239\nAu Se\n2 2\ndirect\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.666666 0.333333 0.750000 Se\n0.333333 0.666666 0.250000 Se\n","nsites":4,"nelements":2,"elements":["Au","Se"],"chemical_system":"Au-Se","density":10.620655862456752,"density_atomic":0.04635949689160718,"volume":86.28221331548038,"volume_molar":12.990090841754228,"formula_full":"Au2 Se2","formula_reduced":"AuSe","formula_anonymous":"AB","energy_above_hull":0.6819804683333333,"spacegroup":194},{"id":"jvasp-38002","created_at":"2022-09-04T14:38:06.259458Z","updated_at":"2022-09-04T14:38:06.259482Z","structure_string":"Fe1 Cl1\n1.0\n3.106321 0.000000 -0.000000\n0.000000 3.106321 0.000000\n0.000000 0.000000 3.106321\nFe Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cl\n","nsites":2,"nelements":2,"elements":["Fe","Cl"],"chemical_system":"Cl-Fe","density":5.057913097441357,"density_atomic":0.06672537105996974,"volume":29.973606264437112,"volume_molar":9.025263800462906,"formula_full":"Fe1 Cl1","formula_reduced":"FeCl","formula_anonymous":"AB","energy_above_hull":1.3345897837499996,"spacegroup":221},{"id":"jvasp-14536","created_at":"2022-09-04T14:38:06.261251Z","updated_at":"2022-09-04T14:38:06.261287Z","structure_string":"Y1 Hg1\n1.0\n3.702380 0.000000 0.000000\n0.000000 3.702380 0.000000\n-0.000000 0.000000 3.702380\nY Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Hg\n","nsites":2,"nelements":2,"elements":["Y","Hg"],"chemical_system":"Hg-Y","density":9.472147801981293,"density_atomic":0.03940823841362054,"volume":50.750809488321266,"volume_molar":15.281425921130712,"formula_full":"Y1 Hg1","formula_reduced":"YHg","formula_anonymous":"AB","energy_above_hull":0.5833768166666666,"spacegroup":221},{"id":"jvasp-44675","created_at":"2022-09-04T14:38:06.262658Z","updated_at":"2022-09-04T14:38:06.262681Z","structure_string":"Li4 Mn2 Cr2 O8\n1.0\n-2.908803 2.874298 4.363274\n2.874298 -2.908803 4.363274\n2.896031 2.896031 -4.385765\nLi Mn Cr O\n4 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500001 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.775607 0.253750 0.992197 O\n0.239463 0.251275 0.972696 O\n0.746251 0.224394 0.507804 O\n0.748725 0.760538 0.527305 O\n0.251275 0.239462 0.472697 O\n0.760538 0.748725 0.027305 O\n0.253750 0.775606 0.492197 O\n0.224394 0.746251 0.007805 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Cr","O"],"chemical_system":"Cr-Li-Mn-O","density":4.224888650423268,"density_atomic":0.11013412084460651,"volume":145.2774115532748,"volume_molar":5.468006385139194,"formula_full":"Li4 Mn2 Cr2 O8","formula_reduced":"Li2MnCrO4","formula_anonymous":"ABC2D4","energy_above_hull":2.657314830172414,"spacegroup":15},{"id":"jvasp-39644","created_at":"2022-09-04T14:38:06.263430Z","updated_at":"2022-09-04T14:38:06.263462Z","structure_string":"Sr4 Ga8 As8\n1.0\n0.000000 9.655814 -0.005161\n4.096967 0.000000 0.000000\n0.000000 -1.225777 -12.566352\nSr Ga As\n4 8 8\ndirect\n0.500000 0.000000 -0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.201350 0.500000 0.775876 Sr\n0.798649 0.500000 0.224124 Sr\n0.600379 0.000000 0.446399 Ga\n0.107858 0.000000 0.062587 Ga\n0.392874 0.500000 0.218849 Ga\n0.892141 0.000000 0.937413 Ga\n0.194447 0.500000 0.323650 Ga\n0.399620 0.000000 0.553601 Ga\n0.805552 0.500000 0.676350 Ga\n0.607125 0.500000 0.781151 Ga\n0.260631 0.500000 0.031431 As\n0.951361 0.000000 0.742365 As\n0.448766 0.000000 0.754854 As\n0.048639 0.000000 0.257635 As\n0.551233 0.000000 0.245146 As\n0.757926 0.500000 0.475218 As\n0.739368 0.500000 0.968569 As\n0.242073 0.500000 0.524781 As\n","nsites":20,"nelements":3,"elements":["Sr","Ga","As"],"chemical_system":"As-Ga-Sr","density":5.035731975291529,"density_atomic":0.04022969828717156,"volume":497.14516517708006,"volume_molar":14.969390814249133,"formula_full":"Sr4 Ga8 As8","formula_reduced":"Sr(GaAs)2","formula_anonymous":"AB2C2","energy_above_hull":0.5419728919999998,"spacegroup":10}]}