{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=101","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=99","results":[{"id":"jvasp-10149","created_at":"2022-09-04T14:37:14.411903Z","updated_at":"2022-09-04T14:37:14.411923Z","structure_string":"K2 Tc2 O8\n1.0\n5.231635 0.000000 -2.097153\n-0.840664 5.163650 -2.097153\n-0.033096 -0.038919 7.491529\nK Tc O\n2 2 8\ndirect\n0.374999 0.125000 0.750000 K\n0.625000 0.875000 0.250001 K\n0.874999 0.625000 0.750000 Tc\n0.125000 0.375000 0.250000 Tc\n0.917432 0.326090 0.595216 O\n0.269124 0.417433 0.095216 O\n0.826090 0.177783 0.095216 O\n0.677782 0.769124 0.595216 O\n0.322217 0.230876 0.404785 O\n0.173909 0.822217 0.904785 O\n0.730875 0.582567 0.904785 O\n0.082567 0.673909 0.404785 O\n","nsites":12,"nelements":3,"elements":["K","Tc","O"],"chemical_system":"K-O-Tc","density":3.3140125812164936,"density_atomic":0.05954606807416817,"volume":201.52464114092783,"volume_molar":10.113414629659621,"formula_full":"K2 Tc2 O8","formula_reduced":"KTcO4","formula_anonymous":"ABC4","energy_above_hull":2.3019655833333337,"spacegroup":88},{"id":"jvasp-101490","created_at":"2022-09-04T14:36:53.013447Z","updated_at":"2022-09-04T14:36:53.013455Z","structure_string":"K2 Sc1 In1 Br6\n1.0\n6.983797 -0.000000 4.032097\n2.327932 6.584387 4.032097\n-0.000000 -0.000000 8.064194\nK Sc In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.768312 0.231688 0.231688 Br\n0.231688 0.231688 0.768311 Br\n0.231688 0.768312 0.768312 Br\n0.231688 0.768312 0.231688 Br\n0.768312 0.231688 0.768312 Br\n0.768312 0.768312 0.231689 Br\n","nsites":10,"nelements":4,"elements":["K","Sc","In","Br"],"chemical_system":"Br-In-K-Sc","density":3.2124710645226537,"density_atomic":0.02696696534621387,"volume":370.82407573917055,"volume_molar":22.33154781298186,"formula_full":"K2 Sc1 In1 Br6","formula_reduced":"K2ScInBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101494","created_at":"2022-09-04T14:36:38.580338Z","updated_at":"2022-09-04T14:36:38.580366Z","structure_string":"K2 In1 Ga1 Br6\n1.0\n6.824750 -0.000000 3.940271\n2.274917 6.434436 3.940271\n-0.000000 -0.000000 7.880543\nK In Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 In\n0.000000 0.000000 0.000000 Ga\n0.743212 0.256788 0.256787 Br\n0.256788 0.256788 0.743212 Br\n0.256788 0.743213 0.743212 Br\n0.256788 0.743213 0.256787 Br\n0.743212 0.256788 0.743212 Br\n0.743213 0.743213 0.256787 Br\n","nsites":10,"nelements":4,"elements":["K","In","Ga","Br"],"chemical_system":"Br-Ga-In-K","density":3.5611822619012035,"density_atomic":0.028896591875132712,"volume":346.0615716625604,"volume_molar":20.84031496178766,"formula_full":"K2 In1 Ga1 Br6","formula_reduced":"K2InGaBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101495","created_at":"2022-09-04T14:36:54.905626Z","updated_at":"2022-09-04T14:36:54.905636Z","structure_string":"K2 In1 Hg1 Cl6\n1.0\n6.521313 -0.000000 3.765082\n2.173771 6.148352 3.765082\n-0.000000 -0.000000 7.530163\nK In Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.759541 0.240459 0.240459 Cl\n0.240459 0.240459 0.759541 Cl\n0.240459 0.759541 0.759541 Cl\n0.240459 0.759541 0.240459 Cl\n0.759541 0.240459 0.759541 Cl\n0.759541 0.759541 0.240459 Cl\n","nsites":10,"nelements":4,"elements":["K","In","Hg","Cl"],"chemical_system":"Cl-Hg-In-K","density":3.3346841706932584,"density_atomic":0.03312087900566226,"volume":301.924354069541,"volume_molar":18.18230959078855,"formula_full":"K2 In1 Hg1 Cl6","formula_reduced":"K2InHgCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101496","created_at":"2022-09-04T14:36:38.702574Z","updated_at":"2022-09-04T14:36:38.702594Z","structure_string":"K2 Er1 Ag1 Cl6\n1.0\n6.442091 -0.000000 3.719343\n2.147364 6.073662 3.719343\n-0.000000 -0.000000 7.438686\nK Er Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ag\n0.754223 0.245777 0.245777 Cl\n0.245777 0.245777 0.754224 Cl\n0.245776 0.754223 0.754224 Cl\n0.245776 0.754223 0.245777 Cl\n0.754223 0.245777 0.754224 Cl\n0.754223 0.754223 0.245777 Cl\n","nsites":10,"nelements":4,"elements":["K","Er","Ag","Cl"],"chemical_system":"Ag-Cl-Er-K","density":3.229415303881296,"density_atomic":0.034357875229695314,"volume":291.0540868184147,"volume_molar":17.527686795937537,"formula_full":"K2 Er1 Ag1 Cl6","formula_reduced":"K2ErAgCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101499","created_at":"2022-09-04T14:36:55.992684Z","updated_at":"2022-09-04T14:36:55.992705Z","structure_string":"K2 In1 Bi1 F6\n1.0\n5.853043 -0.000000 3.379256\n1.951014 5.518302 3.379256\n-0.000000 -0.000000 6.758511\nK In Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Bi\n0.762723 0.237277 0.237278 F\n0.237277 0.237277 0.762723 F\n0.237276 0.762723 0.762724 F\n0.237276 0.762723 0.237278 F\n0.762723 0.237277 0.762724 F\n0.762722 0.762723 0.237278 F\n","nsites":10,"nelements":4,"elements":["K","In","Bi","F"],"chemical_system":"Bi-F-In-K","density":3.925078282224553,"density_atomic":0.045810158656017765,"volume":218.29219311569375,"volume_molar":13.145863137518107,"formula_full":"K2 In1 Bi1 F6","formula_reduced":"K2InBiF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-10150","created_at":"2022-09-04T14:37:15.147017Z","updated_at":"2022-09-04T14:37:15.147028Z","structure_string":"K2 S2 O8\n1.0\n5.068557 0.076910 -0.124033\n-0.095819 5.478476 -0.124438\n-1.882941 -1.917234 6.539809\nK S O\n2 2 8\ndirect\n0.369712 0.192616 0.272162 K\n0.630288 0.807385 0.727839 K\n0.095842 0.284220 0.747408 S\n0.904158 0.715782 0.252592 S\n0.218502 0.096277 0.847616 O\n0.781499 0.903725 0.152385 O\n0.810639 0.208730 0.618870 O\n0.189362 0.791271 0.381130 O\n0.914442 0.456420 0.058596 O\n0.085559 0.543582 0.941405 O\n0.731346 0.596099 0.337234 O\n0.268655 0.403902 0.662767 O\n","nsites":12,"nelements":3,"elements":["K","S","O"],"chemical_system":"K-O-S","density":2.5055825308921618,"density_atomic":0.06698225903516804,"volume":179.15191534074089,"volume_molar":8.990650430046209,"formula_full":"K2 S2 O8","formula_reduced":"KSO4","formula_anonymous":"ABC4","energy_above_hull":1.7039386666666672,"spacegroup":2},{"id":"jvasp-101500","created_at":"2022-09-04T14:36:38.944515Z","updated_at":"2022-09-04T14:36:38.944534Z","structure_string":"K2 Al1 Au1 F6\n1.0\n5.213482 -0.000000 3.010006\n1.737827 4.915318 3.010006\n-0.000000 -0.000000 6.020011\nK Al Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Au\n0.213882 0.213882 0.786118 F\n0.213882 0.786118 0.786118 F\n0.786118 0.786118 0.213883 F\n0.213882 0.786118 0.213882 F\n0.786118 0.213882 0.786119 F\n0.786118 0.213882 0.213883 F\n","nsites":10,"nelements":4,"elements":["K","Al","Au","F"],"chemical_system":"Al-Au-F-K","density":4.4792643237383185,"density_atomic":0.06482211793931228,"volume":154.26833182714262,"volume_molar":9.29025609073441,"formula_full":"K2 Al1 Au1 F6","formula_reduced":"K2AlAuF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101507","created_at":"2022-09-04T14:36:57.577538Z","updated_at":"2022-09-04T14:36:57.577559Z","structure_string":"Rb2 Hg1 As1 Cl6\n1.0\n6.486464 -0.000000 3.744962\n2.162155 6.115497 3.744962\n-0.000000 -0.000000 7.489924\nRb Hg As Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.763054 0.236945 0.236945 Cl\n0.236945 0.236945 0.763054 Cl\n0.236944 0.763055 0.763054 Cl\n0.236944 0.763055 0.236945 Cl\n0.763054 0.236945 0.763054 Cl\n0.763054 0.763055 0.236945 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Hg","As","Cl"],"chemical_system":"As-Cl-Hg-Rb","density":3.6840557028170844,"density_atomic":0.03365757478961599,"volume":297.1099392189479,"volume_molar":17.892378751715487,"formula_full":"Rb2 Hg1 As1 Cl6","formula_reduced":"Rb2HgAsCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-101508","created_at":"2022-09-04T14:36:39.722580Z","updated_at":"2022-09-04T14:36:39.722607Z","structure_string":"Na3 Ga1 Br6\n1.0\n6.536070 0.000000 3.773602\n2.178690 6.162266 3.773602\n-0.000000 -0.000000 7.547204\nNa Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ga\n0.761873 0.238127 0.238127 Br\n0.238127 0.238127 0.761872 Br\n0.238127 0.761873 0.761872 Br\n0.238127 0.761873 0.238127 Br\n0.761873 0.238127 0.761872 Br\n0.761873 0.761873 0.238126 Br\n","nsites":10,"nelements":3,"elements":["Na","Ga","Br"],"chemical_system":"Br-Ga-Na","density":3.3765724627228737,"density_atomic":0.032897036376441285,"volume":303.9787501089718,"volume_molar":18.306028212050933,"formula_full":"Na3 Ga1 Br6","formula_reduced":"Na3GaBr6","formula_anonymous":"AB3C6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-10151","created_at":"2022-09-04T14:37:14.871054Z","updated_at":"2022-09-04T14:37:14.871080Z","structure_string":"Lu2 As2 O8\n1.0\n5.590096 0.018627 -1.681901\n-3.084950 4.661824 -1.681901\n-0.009970 -0.018627 5.837625\nLu As O\n2 2 8\ndirect\n0.125000 0.874999 0.250000 Lu\n0.875001 0.125000 0.750000 Lu\n0.375000 0.624999 0.749999 As\n0.625000 0.375000 0.250000 As\n0.806056 0.740453 0.434398 O\n0.371658 0.806055 0.565601 O\n0.740454 0.806055 0.934397 O\n0.806057 0.371658 0.065602 O\n0.628342 0.193944 0.434398 O\n0.193944 0.259546 0.565601 O\n0.193944 0.628341 0.934397 O\n0.259546 0.193944 0.065602 O\n","nsites":12,"nelements":3,"elements":["Lu","As","O"],"chemical_system":"As-Lu-O","density":6.852996187080357,"density_atomic":0.0788879046239111,"volume":152.11457392877404,"volume_molar":7.633794798720862,"formula_full":"Lu2 As2 O8","formula_reduced":"LuAsO4","formula_anonymous":"ABC4","energy_above_hull":2.033933583333334,"spacegroup":141},{"id":"jvasp-101510","created_at":"2022-09-04T14:36:39.813236Z","updated_at":"2022-09-04T14:36:39.813253Z","structure_string":"Rb2 Ga1 Au1 Br6\n1.0\n6.585859 0.000000 3.802347\n2.195286 6.209207 3.802347\n0.000000 0.000000 7.604695\nRb Ga Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.756617 0.243384 0.243384 Br\n0.243384 0.243384 0.756616 Br\n0.243384 0.756617 0.756616 Br\n0.243384 0.756617 0.243384 Br\n0.756617 0.243384 0.756616 Br\n0.756617 0.756617 0.243384 Br\n","nsites":10,"nelements":4,"elements":["Rb","Ga","Au","Br"],"chemical_system":"Au-Br-Ga-Rb","density":4.896788557786931,"density_atomic":0.032156563654376,"volume":310.97850216464775,"volume_molar":18.727563133694733,"formula_full":"Rb2 Ga1 Au1 Br6","formula_reduced":"Rb2GaAuBr6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225}]}