{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4339","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=4337","results":[{"id":"jvasp-64738","created_at":"2022-09-04T14:35:52.901790Z","updated_at":"2022-09-04T14:35:52.901812Z","structure_string":"Ba4 Mg1 Sc1\n1.0\n0.000000 5.170078 5.170078\n5.170078 -0.000000 5.170078\n5.170078 5.170078 -0.000000\nBa Mg Sc\n4 1 1\ndirect\n0.124504 0.625165 0.625165 Ba\n0.625165 0.625165 0.625165 Ba\n0.625165 0.124504 0.625165 Ba\n0.625165 0.625165 0.124504 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sc\n","nsites":6,"nelements":3,"elements":["Ba","Mg","Sc"],"chemical_system":"Ba-Mg-Sc","density":3.716343984812575,"density_atomic":0.02170850764985241,"volume":276.38933531392667,"volume_molar":27.74092469705509,"formula_full":"Ba4 Mg1 Sc1","formula_reduced":"Ba4MgSc","formula_anonymous":"ABC4","energy_above_hull":0.2328263633333332,"spacegroup":216},{"id":"jvasp-43530","created_at":"2022-09-04T14:36:02.595740Z","updated_at":"2022-09-04T14:36:02.595765Z","structure_string":"Li4 V4 F16\n1.0\n4.515459 0.000000 0.000000\n-0.000000 4.995905 0.000000\n0.000000 0.000000 11.720246\nLi V F\n4 4 16\ndirect\n0.000000 0.250000 0.319300 Li\n0.000000 0.749999 0.680700 Li\n0.500000 0.749999 0.180700 Li\n0.500000 0.250000 0.819300 Li\n0.000000 0.250000 0.070608 V\n0.000000 0.749999 0.929393 V\n0.500000 0.749999 0.429393 V\n0.500000 0.250000 0.570608 V\n0.233073 0.586251 0.816142 F\n0.233073 0.086252 0.183858 F\n0.266927 0.586251 0.316142 F\n0.266927 0.086252 0.683858 F\n0.261138 0.583527 0.556231 F\n0.261138 0.083527 0.443770 F\n0.738862 0.416472 0.443770 F\n0.766927 0.413748 0.183858 F\n0.733073 0.413748 0.683858 F\n0.733073 0.913747 0.316142 F\n0.238862 0.083527 0.943770 F\n0.766927 0.913747 0.816142 F\n0.761138 0.416472 0.943770 F\n0.761138 0.916472 0.056230 F\n0.738862 0.916472 0.556231 F\n0.238862 0.583527 0.056230 F\n","nsites":24,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":3.363251778748479,"density_atomic":0.09077336594109593,"volume":264.3947346358614,"volume_molar":6.634259617416687,"formula_full":"Li4 V4 F16","formula_reduced":"LiVF4","formula_anonymous":"ABC4","energy_above_hull":0.3229908883333333,"spacegroup":60},{"id":"jvasp-86404","created_at":"2022-09-04T14:35:52.761761Z","updated_at":"2022-09-04T14:35:52.761780Z","structure_string":"B1 As1 O4\n1.0\n3.946168 -0.000000 -2.163119\n-1.185728 3.763813 -2.163119\n0.001003 0.001368 4.682877\nB As O\n1 1 4\ndirect\n0.249999 0.750000 0.500000 B\n0.000000 0.000000 0.000000 As\n0.145136 0.702769 0.733439 O\n0.297231 0.411697 0.266561 O\n0.588303 0.030670 0.733440 O\n0.969330 0.854862 0.266560 O\n","nsites":6,"nelements":3,"elements":["B","As","O"],"chemical_system":"As-B-O","density":3.573521139682204,"density_atomic":0.08623609927498445,"volume":69.57643087342765,"volume_molar":6.983317671636518,"formula_full":"B1 As1 O4","formula_reduced":"BAsO4","formula_anonymous":"ABC4","energy_above_hull":2.7488313888888896,"spacegroup":82},{"id":"jvasp-53086","created_at":"2022-09-04T14:35:52.724026Z","updated_at":"2022-09-04T14:35:52.724061Z","structure_string":"Al4 C1 O1\n1.0\n2.931659 0.001011 0.034507\n0.000224 5.093117 -0.008261\n-0.070386 -0.121691 5.217669\nAl C O\n4 1 1\ndirect\n0.040351 0.787529 0.605456 Al\n0.542176 0.914593 0.088618 Al\n0.541260 0.228787 0.572824 Al\n0.041390 0.445576 0.024023 Al\n0.540758 0.570703 0.778514 C\n0.541649 0.287551 0.218894 O\n","nsites":6,"nelements":3,"elements":["Al","C","O"],"chemical_system":"Al-C-O","density":2.897065057274811,"density_atomic":0.07700609516786358,"volume":77.9159102525684,"volume_molar":7.8203429830749,"formula_full":"Al4 C1 O1","formula_reduced":"Al4CO","formula_anonymous":"ABC4","energy_above_hull":2.708634116666667,"spacegroup":6},{"id":"jvasp-42667","created_at":"2022-09-04T14:36:02.622331Z","updated_at":"2022-09-04T14:36:02.622353Z","structure_string":"Sr2 Ca2 I8\n1.0\n-5.322737 5.313168 4.760115\n5.322737 -5.313168 4.760115\n5.322737 5.313168 -4.760115\nSr Ca I\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250705 0.250000 0.000705 Ca\n0.749295 0.750001 0.999295 Ca\n0.748591 0.042493 0.291083 I\n0.693527 0.500775 0.192752 I\n0.808024 0.000775 0.807248 I\n0.748591 0.457508 0.706099 I\n0.251410 0.542493 0.293902 I\n0.306473 0.499226 0.807248 I\n0.191977 0.999226 0.192752 I\n0.251410 0.957508 0.708917 I\n","nsites":12,"nelements":3,"elements":["Sr","Ca","I"],"chemical_system":"Ca-I-Sr","density":3.918346259269291,"density_atomic":0.02228513418669184,"volume":538.475555025651,"volume_molar":27.02312990152997,"formula_full":"Sr2 Ca2 I8","formula_reduced":"SrCaI4","formula_anonymous":"ABC4","energy_above_hull":0.0099599999999999,"spacegroup":65},{"id":"jvasp-69978","created_at":"2022-09-04T14:35:52.698323Z","updated_at":"2022-09-04T14:35:52.698341Z","structure_string":"Be1 Sb1 P4\n1.0\n0.000000 3.958875 3.958875\n3.958875 -0.000000 3.958875\n3.958875 3.958875 -0.000000\nBe Sb P\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Sb\n0.054770 0.648410 0.648410 P\n0.648410 0.648410 0.648410 P\n0.648410 0.054770 0.648410 P\n0.648410 0.648410 0.054770 P\n","nsites":6,"nelements":3,"elements":["Be","Sb","P"],"chemical_system":"Be-P-Sb","density":3.407821185538033,"density_atomic":0.048351047454308606,"volume":124.09245126840234,"volume_molar":12.455036813195992,"formula_full":"Be1 Sb1 P4","formula_reduced":"BeSbP4","formula_anonymous":"ABC4","energy_above_hull":2.9797707000000004,"spacegroup":216},{"id":"jvasp-66108","created_at":"2022-09-04T14:36:02.639230Z","updated_at":"2022-09-04T14:36:02.639255Z","structure_string":"Ba4 Ru1 Br1\n1.0\n0.000000 4.879098 4.879098\n4.879098 0.000000 4.879098\n4.879098 4.879098 0.000000\nBa Ru Br\n4 1 1\ndirect\n0.122611 0.625797 0.625797 Ba\n0.625797 0.625797 0.625797 Ba\n0.625797 0.122611 0.625797 Ba\n0.625797 0.625797 0.122611 Ba\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Br\n","nsites":6,"nelements":3,"elements":["Ba","Ru","Br"],"chemical_system":"Ba-Br-Ru","density":5.220247260995198,"density_atomic":0.025828704926520053,"volume":232.29968428805736,"volume_molar":23.315689954770697,"formula_full":"Ba4 Ru1 Br1","formula_reduced":"Ba4RuBr","formula_anonymous":"ABC4","energy_above_hull":0.7353630808333333,"spacegroup":216},{"id":"jvasp-65309","created_at":"2022-09-04T14:36:02.644419Z","updated_at":"2022-09-04T14:36:02.644447Z","structure_string":"Be1 In4 Mo1\n1.0\n0.000000 4.007522 4.007522\n4.007522 0.000000 4.007522\n4.007522 4.007522 0.000000\nBe In Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124778 0.625074 0.625074 In\n0.625074 0.625074 0.625074 In\n0.625074 0.124778 0.625074 In\n0.625074 0.625074 0.124778 In\n0.250000 0.250000 0.250000 Mo\n","nsites":6,"nelements":3,"elements":["Be","In","Mo"],"chemical_system":"Be-In-Mo","density":7.2785195336461195,"density_atomic":0.04661154615791422,"volume":128.72347078281277,"volume_molar":12.91984766949743,"formula_full":"Be1 In4 Mo1","formula_reduced":"BeIn4Mo","formula_anonymous":"ABC4","energy_above_hull":1.245080313333333,"spacegroup":216},{"id":"jvasp-85413","created_at":"2022-09-04T14:35:49.355911Z","updated_at":"2022-09-04T14:35:49.355965Z","structure_string":"Mg2 W2 O8\n1.0\n5.338492 1.192195 0.000000\n1.335635 5.386120 0.000000\n0.000000 0.000000 5.497066\nMg W O\n2 2 8\ndirect\n0.500000 0.250000 0.633446 Mg\n0.500000 0.750000 0.366555 Mg\n0.000000 0.250000 0.151895 W\n0.000001 0.750000 0.848106 W\n0.278437 0.675576 0.633389 O\n0.278436 0.175576 0.366612 O\n0.721564 0.324425 0.366612 O\n0.808984 0.651234 0.114257 O\n0.191016 0.348767 0.885743 O\n0.191016 0.848767 0.114257 O\n0.721564 0.824425 0.633389 O\n0.808984 0.151234 0.885743 O\n","nsites":12,"nelements":3,"elements":["Mg","W","O"],"chemical_system":"Mg-O-W","density":6.0532997737988605,"density_atomic":0.08037071001649258,"volume":149.30812478249257,"volume_molar":7.492954533765123,"formula_full":"Mg2 W2 O8","formula_reduced":"MgWO4","formula_anonymous":"ABC4","energy_above_hull":2.653978841666667,"spacegroup":13},{"id":"jvasp-50812","created_at":"2022-09-04T14:35:52.875605Z","updated_at":"2022-09-04T14:35:52.875633Z","structure_string":"Ba1 Ca1 I4\n1.0\n4.780621 -0.003344 0.003965\n0.005847 7.155185 -1.683560\n-0.007763 -2.347900 8.608923\nBa Ca I\n1 1 4\ndirect\n0.505635 0.494946 -0.000452 Ba\n0.005673 -0.005361 0.499684 Ca\n0.005584 0.513228 0.279772 I\n0.505687 0.023577 0.273648 I\n0.005697 0.476121 0.719185 I\n0.505650 0.966068 0.725912 I\n","nsites":6,"nelements":3,"elements":["Ba","Ca","I"],"chemical_system":"Ba-Ca-I","density":4.127653108706391,"density_atomic":0.021772097338709294,"volume":275.5820859450418,"volume_molar":27.659901874924323,"formula_full":"Ba1 Ca1 I4","formula_reduced":"BaCaI4","formula_anonymous":"ABC4","energy_above_hull":0.0045049999999999,"spacegroup":10},{"id":"jvasp-66421","created_at":"2022-09-04T14:35:52.656338Z","updated_at":"2022-09-04T14:35:52.656384Z","structure_string":"Ba4 Be1 Rh1\n1.0\n0.000000 4.797842 4.797842\n4.797842 -0.000000 4.797842\n4.797842 4.797842 -0.000000\nBa Be Rh\n4 1 1\ndirect\n0.123424 0.625525 0.625525 Ba\n0.625525 0.625525 0.625525 Ba\n0.625525 0.123424 0.625525 Ba\n0.625525 0.625525 0.123424 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Rh\n","nsites":6,"nelements":3,"elements":["Ba","Be","Rh"],"chemical_system":"Ba-Be-Rh","density":4.9708537907503505,"density_atomic":0.027163356219085714,"volume":220.88581218046377,"volume_molar":22.17009088062792,"formula_full":"Ba4 Be1 Rh1","formula_reduced":"Ba4BeRh","formula_anonymous":"ABC4","energy_above_hull":0.8672171633333332,"spacegroup":216},{"id":"jvasp-64142","created_at":"2022-09-04T14:35:52.642728Z","updated_at":"2022-09-04T14:35:52.642746Z","structure_string":"Ba4 Sc1 Si1\n1.0\n0.000000 4.984492 4.984492\n4.984492 0.000000 4.984492\n4.984492 4.984492 -0.000000\nBa Sc Si\n4 1 1\ndirect\n0.121845 0.626051 0.626051 Ba\n0.626051 0.626051 0.626051 Ba\n0.626051 0.121845 0.626051 Ba\n0.626051 0.626051 0.121845 Ba\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Si\n","nsites":6,"nelements":3,"elements":["Ba","Sc","Si"],"chemical_system":"Ba-Sc-Si","density":4.172445526627653,"density_atomic":0.02422470766322578,"volume":247.6810074826321,"volume_molar":24.859498177317064,"formula_full":"Ba4 Sc1 Si1","formula_reduced":"Ba4ScSi","formula_anonymous":"ABC4","energy_above_hull":0.9910979549999998,"spacegroup":216}]}