{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=4332","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=4330","results":[{"id":"jvasp-67600","created_at":"2022-09-04T14:35:51.038846Z","updated_at":"2022-09-04T14:35:51.038872Z","structure_string":"Na1 Be1 Ru2\n1.0\n-2.121121 2.121121 2.999889\n2.121121 -2.121121 2.999889\n2.121121 2.121121 -2.999889\nNa Be Ru\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Na","Be","Ru"],"chemical_system":"Be-Na-Ru","density":7.201654240547774,"density_atomic":0.07409073909109712,"volume":53.98785393518429,"volume_molar":8.128061393199992,"formula_full":"Na1 Be1 Ru2","formula_reduced":"NaBeRu2","formula_anonymous":"ABC2","energy_above_hull":2.651821525,"spacegroup":216},{"id":"jvasp-38492","created_at":"2022-09-04T14:35:51.036668Z","updated_at":"2022-09-04T14:35:51.036688Z","structure_string":"K6 Rh2\n1.0\n3.842834 -6.655984 0.000000\n3.842834 6.655984 -0.000000\n0.000000 -0.000000 5.515985\nK Rh\n6 2\ndirect\n0.186682 0.813317 0.750001 K\n0.626634 0.813317 0.750001 K\n0.186682 0.373365 0.750001 K\n0.813317 0.186682 0.250000 K\n0.373365 0.186682 0.250000 K\n0.813317 0.626634 0.250000 K\n0.333333 0.666666 0.250000 Rh\n0.666666 0.333333 0.750001 Rh\n","nsites":8,"nelements":2,"elements":["K","Rh"],"chemical_system":"K-Rh","density":2.5916731575639185,"density_atomic":0.02835130283897244,"volume":282.1739814017644,"volume_molar":21.241142935138097,"formula_full":"K6 Rh2","formula_reduced":"K3Rh","formula_anonymous":"AB3","energy_above_hull":0.1485342499999999,"spacegroup":194},{"id":"jvasp-91327","created_at":"2022-09-04T14:35:51.031651Z","updated_at":"2022-09-04T14:35:51.031661Z","structure_string":"Nd4 W6 O24\n1.0\n6.914792 0.002318 -1.317741\n-2.979470 6.239960 -1.317741\n-0.010880 -0.017258 11.624333\nNd W O\n4 6 24\ndirect\n0.694603 0.946797 0.404891 Nd\n0.053203 0.305397 0.095109 Nd\n0.305396 0.053203 0.595109 Nd\n0.946797 0.694603 0.904891 Nd\n0.118110 0.881890 0.250000 W\n0.489753 0.201682 0.951931 W\n0.510247 0.798318 0.048069 W\n0.201682 0.489753 0.451931 W\n0.798317 0.510247 0.548069 W\n0.881890 0.118110 0.750000 W\n0.227464 0.628478 0.039163 O\n0.793545 0.651203 0.693748 O\n0.348797 0.206455 0.806251 O\n0.012141 0.598379 0.221079 O\n0.401621 0.987858 0.278921 O\n0.987858 0.401621 0.778921 O\n0.598379 0.012141 0.721079 O\n0.901768 0.327301 0.423867 O\n0.628478 0.227464 0.539163 O\n0.026753 0.945278 0.110240 O\n0.054722 0.973246 0.389760 O\n0.973246 0.054722 0.889760 O\n0.945277 0.026753 0.610240 O\n0.651203 0.793545 0.193748 O\n0.206455 0.348797 0.306252 O\n0.601038 0.672445 0.938241 O\n0.327555 0.398962 0.561759 O\n0.398962 0.327555 0.061759 O\n0.672445 0.601038 0.438241 O\n0.327301 0.901768 0.923867 O\n0.098231 0.672699 0.576132 O\n0.672699 0.098231 0.076133 O\n0.772535 0.371522 0.960837 O\n0.371522 0.772536 0.460837 O\n","nsites":34,"nelements":3,"elements":["Nd","W","O"],"chemical_system":"Nd-O-W","density":6.836459941925189,"density_atomic":0.06781921314467655,"volume":501.33285869107465,"volume_molar":8.879697184267178,"formula_full":"Nd4 W6 O24","formula_reduced":"Nd2(WO4)3","formula_anonymous":"A2B3C12","energy_above_hull":3.957973823529412,"spacegroup":15},{"id":"jvasp-69673","created_at":"2022-09-04T14:35:51.029153Z","updated_at":"2022-09-04T14:35:51.029185Z","structure_string":"Be2 V1 Ga1\n1.0\n-1.703512 1.703512 3.952809\n1.703512 -1.703512 3.952809\n1.703512 1.703512 -3.952809\nBe V Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.499999 Be\n0.750000 0.250000 0.499999 V\n0.500000 0.500000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Be","V","Ga"],"chemical_system":"Be-Ga-V","density":5.019199671021282,"density_atomic":0.08717737260255136,"volume":45.88346586489044,"volume_molar":6.907917249875633,"formula_full":"Be2 V1 Ga1","formula_reduced":"Be2VGa","formula_anonymous":"ABC2","energy_above_hull":1.91704218125,"spacegroup":119},{"id":"jvasp-87869","created_at":"2022-09-04T14:35:51.023558Z","updated_at":"2022-09-04T14:35:51.023579Z","structure_string":"Ba8 Si16\n1.0\n6.772015 -0.000000 0.000000\n0.000000 8.983549 0.000000\n0.000000 0.000000 11.599846\nBa Si\n8 16\ndirect\n0.749999 0.985090 0.307330 Ba\n0.749999 0.485090 0.192670 Ba\n0.250000 0.514910 0.807330 Ba\n0.749999 0.160166 0.906037 Ba\n0.250000 0.839834 0.093963 Ba\n0.749999 0.660166 0.593963 Ba\n0.250000 0.339834 0.406037 Ba\n0.250000 0.014910 0.692670 Ba\n0.250000 0.918312 0.409529 Si\n0.749999 0.081688 0.590472 Si\n0.250000 0.418312 0.090472 Si\n0.749999 0.581688 0.909529 Si\n0.929236 0.306170 0.645675 Si\n0.250000 0.196876 0.964712 Si\n0.749999 0.803124 0.035288 Si\n0.929236 0.806170 0.854326 Si\n0.429237 0.193830 0.145675 Si\n0.570763 0.306170 0.645675 Si\n0.070763 0.693830 0.354326 Si\n0.070763 0.193830 0.145675 Si\n0.570763 0.806170 0.854326 Si\n0.429237 0.693830 0.354326 Si\n0.749999 0.303124 0.464712 Si\n0.250000 0.696876 0.535288 Si\n","nsites":24,"nelements":2,"elements":["Ba","Si"],"chemical_system":"Ba-Si","density":3.642482626795938,"density_atomic":0.03400894547023764,"volume":705.6966826861244,"volume_molar":17.707519820837067,"formula_full":"Ba8 Si16","formula_reduced":"BaSi2","formula_anonymous":"AB2","energy_above_hull":1.6478543899999998,"spacegroup":62},{"id":"jvasp-3177","created_at":"2022-09-04T14:35:51.020554Z","updated_at":"2022-09-04T14:35:51.020581Z","structure_string":"Mg1 Be2 N2\n1.0\n1.477014 -2.558264 0.000000\n1.477014 2.558264 0.000000\n0.000000 0.000000 5.088482\nMg Be N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666665 0.333332 0.371569 Be\n0.333332 0.666665 0.628430 Be\n0.666665 0.333332 0.722605 N\n0.333332 0.666665 0.277395 N\n","nsites":5,"nelements":3,"elements":["Mg","Be","N"],"chemical_system":"Be-Mg-N","density":3.0375281898780715,"density_atomic":0.13002348278662482,"volume":38.45459214629142,"volume_molar":4.6315793354671495,"formula_full":"Mg1 Be2 N2","formula_reduced":"Mg(BeN)2","formula_anonymous":"AB2C2","energy_above_hull":2.54516555,"spacegroup":164},{"id":"jvasp-52352","created_at":"2022-09-04T14:35:51.018924Z","updated_at":"2022-09-04T14:35:51.018940Z","structure_string":"Bi6 O8 F2\n1.0\n0.000000 0.000000 4.053700\n0.000000 11.392280 0.000000\n-6.265016 0.000000 2.026850\nBi O F\n6 8 2\ndirect\n0.667165 0.750000 0.665671 Bi\n0.632829 0.410562 0.734343 Bi\n0.632829 0.089438 0.734343 Bi\n0.367171 0.910562 0.265658 Bi\n0.367171 0.589438 0.265658 Bi\n0.332835 0.250000 0.334330 Bi\n0.537222 0.250000 0.925555 O\n0.247234 0.750000 0.505530 O\n0.775309 0.595279 0.449383 O\n0.775309 0.904721 0.449383 O\n0.224691 0.095279 0.550617 O\n0.224691 0.404721 0.550617 O\n0.752765 0.250000 0.494471 O\n0.462777 0.750000 0.074446 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n","nsites":16,"nelements":3,"elements":["Bi","O","F"],"chemical_system":"Bi-F-O","density":8.149192719419208,"density_atomic":0.05530132573130561,"volume":289.32398615070696,"volume_molar":10.889686061524051,"formula_full":"Bi6 O8 F2","formula_reduced":"Bi3O4F","formula_anonymous":"AB3C4","energy_above_hull":1.5884133978125,"spacegroup":63},{"id":"jvasp-86939","created_at":"2022-09-04T14:35:51.014795Z","updated_at":"2022-09-04T14:35:51.014811Z","structure_string":"K2 Nb2 Cu4 Se8\n1.0\n5.458454 0.000000 -1.645002\n0.000000 7.706184 0.000000\n0.000645 -0.000000 9.880778\nK Nb Cu Se\n2 2 4 8\ndirect\n0.925124 0.750000 0.364627 K\n0.560497 0.250000 0.635373 K\n0.610552 0.250000 0.221816 Nb\n0.388736 0.750000 0.778184 Nb\n0.108461 0.250000 0.217019 Cu\n0.891442 0.750000 0.782982 Cu\n0.480884 0.500000 0.000000 Cu\n0.480884 0.000000 0.000000 Cu\n0.751826 0.250000 0.005756 Se\n0.141034 0.490645 0.781665 Se\n0.535758 0.750000 0.570741 Se\n0.746071 0.750000 0.994245 Se\n0.965016 0.250000 0.429259 Se\n0.141034 0.009355 0.781665 Se\n0.359369 0.990644 0.218335 Se\n0.359369 0.509355 0.218335 Se\n","nsites":16,"nelements":4,"elements":["K","Nb","Cu","Se"],"chemical_system":"Cu-K-Nb-Se","density":4.593993700672113,"density_atomic":0.038495615517954336,"volume":415.6317488296195,"volume_molar":15.643705598605836,"formula_full":"K2 Nb2 Cu4 Se8","formula_reduced":"KNb(CuSe2)2","formula_anonymous":"ABC2D4","energy_above_hull":1.2595289708333333,"spacegroup":40},{"id":"jvasp-75798","created_at":"2022-09-04T14:35:51.009664Z","updated_at":"2022-09-04T14:35:51.009689Z","structure_string":"Fe2 As1 Cl1\n1.0\n0.000000 3.167180 3.167180\n3.167180 0.000000 3.167180\n3.167180 3.167180 -0.000000\nFe As Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Cl\n","nsites":4,"nelements":3,"elements":["Fe","As","Cl"],"chemical_system":"As-Cl-Fe","density":5.803369123980399,"density_atomic":0.06295232244837833,"volume":63.54014982179647,"volume_molar":9.56619315345868,"formula_full":"Fe2 As1 Cl1","formula_reduced":"Fe2AsCl","formula_anonymous":"ABC2","energy_above_hull":2.498719204375,"spacegroup":216},{"id":"jvasp-89935","created_at":"2022-09-04T14:35:51.005791Z","updated_at":"2022-09-04T14:35:51.005813Z","structure_string":"Sm2 Mn1 Ga6\n1.0\n-4.402696 -4.402696 0.000000\n-4.402696 0.000000 -4.402696\n-0.000000 -4.402696 -4.402696\nSm Mn Ga\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750001 0.750001 0.750001 Sm\n0.500000 0.500000 0.500000 Mn\n0.780687 0.219314 0.219314 Ga\n0.780687 0.219314 0.780687 Ga\n0.780687 0.780687 0.219314 Ga\n0.219314 0.780687 0.780687 Ga\n0.219314 0.780687 0.219314 Ga\n0.219314 0.219314 0.780687 Ga\n","nsites":9,"nelements":3,"elements":["Sm","Mn","Ga"],"chemical_system":"Ga-Mn-Sm","density":7.530117380700573,"density_atomic":0.05272983551151765,"volume":170.68135928537367,"volume_molar":11.420746341385037,"formula_full":"Sm2 Mn1 Ga6","formula_reduced":"Sm2MnGa6","formula_anonymous":"AB2C6","energy_above_hull":0.5531709934865903,"spacegroup":225},{"id":"jvasp-94097","created_at":"2022-09-04T14:35:51.000764Z","updated_at":"2022-09-04T14:35:51.000781Z","structure_string":"Mg6 Ni1 W1\n1.0\n6.136312 -0.166949 0.000000\n-3.212739 5.230727 0.000000\n0.000000 0.000000 4.702060\nMg Ni W\n6 1 1\ndirect\n0.177174 0.846957 0.250000 Mg\n0.653043 0.322826 0.250000 Mg\n0.673971 0.826029 0.250000 Mg\n0.321924 0.666534 0.750000 Mg\n0.833466 0.178076 0.750000 Mg\n0.829717 0.670283 0.750000 Mg\n0.199780 0.300220 0.250000 Ni\n0.310925 0.189075 0.750000 W\n","nsites":8,"nelements":3,"elements":["Mg","Ni","W"],"chemical_system":"Mg-Ni-W","density":4.345585931620706,"density_atomic":0.05390771668790484,"volume":148.40175936805988,"volume_molar":11.171203549326316,"formula_full":"Mg6 Ni1 W1","formula_reduced":"Mg6NiW","formula_anonymous":"ABC6","energy_above_hull":0.5872770875,"spacegroup":38},{"id":"jvasp-43844","created_at":"2022-09-04T14:35:50.991346Z","updated_at":"2022-09-04T14:35:50.991368Z","structure_string":"Li4 Ti3 V5 O16\n1.0\n5.841251 -0.007233 0.020136\n-2.914424 5.063171 0.014540\n-0.033337 -0.101711 9.539438\nLi Ti V O\n4 3 5 16\ndirect\n0.330511 0.661025 0.105128 Li\n0.005198 0.010484 0.006589 Li\n0.001681 0.003307 0.502152 Li\n0.664933 0.329910 0.604913 Li\n0.164258 0.822954 0.782858 Ti\n0.658631 0.823027 0.782824 Ti\n0.830001 0.659980 0.279222 Ti\n0.346408 0.165526 0.290064 V\n0.819126 0.165513 0.290070 V\n0.661856 0.323746 0.012250 V\n0.169784 0.339594 0.790529 V\n0.329003 0.658017 0.508722 V\n0.335188 0.173639 0.899867 O\n0.671461 0.342902 0.402764 O\n0.959917 0.479610 0.159068 O\n0.519691 0.479614 0.159068 O\n0.166719 0.333425 0.398131 O\n0.837337 0.674737 0.900130 O\n0.481323 0.517968 0.659364 O\n0.480201 0.960458 0.661140 O\n0.665082 0.834708 0.400592 O\n0.001794 0.003582 0.191091 O\n-0.000782 -0.001531 0.686859 O\n0.338984 0.678002 0.900154 O\n0.516741 0.033482 0.158808 O\n0.169643 0.834706 0.400585 O\n0.036603 0.517961 0.659366 O\n0.838412 0.173660 0.899858 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","V","O"],"chemical_system":"Li-O-Ti-V","density":4.017021787795417,"density_atomic":0.09930901947791348,"volume":281.94820719408324,"volume_molar":6.06404210983005,"formula_full":"Li4 Ti3 V5 O16","formula_reduced":"Li4Ti3V5O16","formula_anonymous":"A3B4C5D16","energy_above_hull":3.323438285714286,"spacegroup":8}]}