{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3462","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=3460","results":[{"id":"jvasp-98090","created_at":"2022-09-04T14:35:45.029467Z","updated_at":"2022-09-04T14:35:45.029491Z","structure_string":"K8 Mn4 P8 O28\n1.0\n5.510790 0.000000 0.000000\n0.000000 9.296747 -2.355718\n0.000000 0.016487 12.576410\nK Mn P O\n8 4 8 28\ndirect\n0.739058 0.371039 0.854266 K\n0.760942 0.871039 0.354266 K\n0.279196 0.358335 0.320522 K\n0.260942 0.628961 0.145734 K\n0.720804 0.641665 0.679478 K\n0.239058 0.128961 0.645734 K\n0.220804 0.858336 0.820522 K\n0.779196 0.141665 0.179478 K\n0.759990 0.747942 0.981749 Mn\n0.259990 0.752059 0.518251 Mn\n0.740010 0.247941 0.481749 Mn\n0.240010 0.252059 0.018251 Mn\n0.254478 0.033776 0.362843 P\n0.282324 0.943629 0.119522 P\n0.717676 0.056372 0.880477 P\n0.217676 0.443629 0.619523 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0.647002 0.686422 O\n0.749893 0.484959 0.348798 O\n0.721891 0.507532 0.041417 O\n0.278101 0.492473 0.541410 O\n0.807038 0.105180 0.162214 O\n0.209108 0.352997 0.186422 O\n0.142668 0.253925 0.689962 O\n0.303959 0.003569 0.929164 O\n0.192965 0.894816 0.662215 O\n0.780195 0.148162 0.814544 O\n0.250111 0.515036 0.848794 O\n0.219805 0.851838 0.314543 O\n","nsites":24,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":2.887250024587058,"density_atomic":0.08700186550498733,"volume":275.8561538961968,"volume_molar":6.921852451146331,"formula_full":"Li4 Cr2 P4 O14","formula_reduced":"Li2CrP2O7","formula_anonymous":"AB2C2D7","energy_above_hull":2.7613194083333337,"spacegroup":4},{"id":"jvasp-9265","created_at":"2022-09-04T14:38:18.718003Z","updated_at":"2022-09-04T14:38:18.718025Z","structure_string":"Ba2 Ti2 Tl1 O7\n1.0\n3.894464 -0.000000 -0.000000\n-0.000000 3.894464 -0.000000\n-0.000000 0.000000 13.506308\nBa Ti Tl O\n2 2 1 7\ndirect\n0.000000 0.000000 0.294044 Ba\n0.000000 0.000000 0.705956 Ba\n0.499999 0.499999 0.152959 Ti\n0.499999 0.499999 0.847041 Ti\n0.499999 0.499999 0.500000 Tl\n0.000000 0.000000 0.500000 O\n0.000000 0.499999 0.141390 O\n0.499999 0.000000 0.141390 O\n0.000000 0.499999 0.858610 O\n0.499999 0.000000 0.858610 O\n0.499999 0.499999 0.290924 O\n0.499999 0.499999 0.709077 O\n","nsites":12,"nelements":4,"elements":["Ba","Ti","Tl","O"],"chemical_system":"Ba-O-Ti-Tl","density":5.567068214489314,"density_atomic":0.05857997872017272,"volume":204.84814542733278,"volume_molar":10.28020305156957,"formula_full":"Ba2 Ti2 Tl1 O7","formula_reduced":"Ba2Ti2TlO7","formula_anonymous":"AB2C2D7","energy_above_hull":2.162195475555556,"spacegroup":123},{"id":"jvasp-25593","created_at":"2022-09-04T14:38:18.548430Z","updated_at":"2022-09-04T14:38:18.548450Z","structure_string":"Ca2 Al4 B4 O14\n1.0\n4.789528 -0.005649 15.138763\n2.332962 4.182929 15.138763\n-0.009633 -0.005649 15.878337\nCa Al B O\n2 4 4 14\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.286102 0.286102 0.286101 Al\n0.786102 0.786102 0.786101 Al\n0.713899 0.713898 0.713898 Al\n0.213898 0.213898 0.213898 Al\n0.634470 0.634469 0.634469 B\n0.865531 0.865531 0.865530 B\n0.365531 0.365531 0.365530 B\n0.134469 0.134469 0.134469 B\n0.250000 0.250000 0.250000 O\n0.436475 0.097746 0.872059 O\n0.902254 0.127941 0.563525 O\n0.597747 0.936474 0.372059 O\n0.063526 0.627941 0.402253 O\n0.936475 0.372059 0.597746 O\n0.372060 0.597746 0.936474 O\n0.127941 0.563526 0.902253 O\n0.563526 0.902254 0.127940 O\n0.627941 0.402253 0.063525 O\n0.402254 0.063525 0.627940 O\n0.872060 0.436474 0.097746 O\n0.097746 0.872059 0.436474 O\n0.750001 0.750000 0.749999 O\n","nsites":24,"nelements":4,"elements":["Ca","Al","B","O"],"chemical_system":"Al-B-Ca-O","density":2.369088647152095,"density_atomic":0.07520190990908526,"volume":319.1408307184565,"volume_molar":8.00796252020782,"formula_full":"Ca2 Al4 B4 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O\n0.240413 0.777153 0.000005 O\n0.500005 0.882370 0.235251 O\n-0.000000 0.124328 0.751351 O\n0.499996 0.117630 0.764750 O\n","nsites":24,"nelements":4,"elements":["Tb","Ba","Mn","O"],"chemical_system":"Ba-Mn-O-Tb","density":7.3449147704542295,"density_atomic":0.07839681693005228,"volume":306.13487817258493,"volume_molar":7.681613866253159,"formula_full":"Ba2 Tb4 Mn4 O14","formula_reduced":"BaTb2Mn2O7","formula_anonymous":"AB2C2D7","energy_above_hull":2.602708479396552,"spacegroup":12},{"id":"jvasp-55270","created_at":"2022-09-04T14:38:18.985494Z","updated_at":"2022-09-04T14:38:18.985512Z","structure_string":"Ca4 Zn2 Ge4 O14\n1.0\n8.015407 0.000000 0.000000\n0.000000 8.015407 -0.000000\n0.000000 0.000000 5.197548\nCa Zn Ge O\n4 2 4 14\ndirect\n0.334407 0.834407 0.507765 Ca\n0.165593 0.334407 0.492235 Ca\n0.834407 0.665593 0.492235 Ca\n0.665593 0.165593 0.507765 Ca\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.145588 0.645589 0.943989 Ge\n0.354412 0.145588 0.056011 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O\n0.750000 0.563645 0.304404 O\n0.250000 0.695596 0.436354 O\n0.750000 0.893761 0.494857 O\n0.250000 0.106239 0.505143 O\n0.000000 0.128424 0.871576 O\n0.000000 0.871576 0.128423 O\n0.750000 0.661213 0.661213 O\n0.750000 0.304404 0.563645 O\n0.500000 0.871576 0.128423 O\n0.250000 0.338787 0.338787 O\n0.250000 0.505143 0.106239 O\n0.250000 0.436355 0.695596 O\n","nsites":24,"nelements":4,"elements":["Sr","Ga","B","O"],"chemical_system":"B-Ga-O-Sr","density":4.200860697971544,"density_atomic":0.08416737689381888,"volume":285.1461086909853,"volume_molar":7.154958348764054,"formula_full":"Sr2 Ga4 B4 O14","formula_reduced":"SrGa2B2O7","formula_anonymous":"AB2C2D7","energy_above_hull":2.268559218888889,"spacegroup":63},{"id":"jvasp-24329","created_at":"2022-09-04T14:38:18.358583Z","updated_at":"2022-09-04T14:38:18.358591Z","structure_string":"K8 Zr4 Si8 O28\n1.0\n0.000000 9.629530 0.066493\n5.616510 0.000000 0.000000\n0.000000 -6.522249 -12.640156\nK Zr Si O\n8 4 8 28\ndirect\n0.039045 0.754378 0.428519 K\n0.525656 0.245890 0.407068 K\n0.960955 0.254378 0.071481 K\n0.039045 0.745622 0.928519 K\n0.960956 0.245622 0.571481 K\n0.474344 0.754110 0.592932 K\n0.474344 0.745890 0.092932 K\n0.525656 0.254110 0.907068 K\n0.766430 0.241265 0.773502 Zr\n0.233570 0.741265 0.726499 Zr\n0.233570 0.758735 0.226499 Zr\n0.766430 0.258735 0.273502 Zr\n0.333350 0.250061 0.113879 Si\n0.333350 0.249939 0.613879 Si\n0.666650 0.749939 0.886122 Si\n0.666650 0.750062 0.386122 Si\n0.180219 0.233811 0.870763 Si\n0.819782 0.766189 0.129237 Si\n0.819782 0.733811 0.629238 Si\n0.180219 0.266189 0.370763 Si\n0.324513 0.216822 0.494100 O\n0.478383 0.754049 0.305695 O\n0.215652 0.970666 0.836840 O\n0.206078 0.056379 0.301322 O\n0.784348 0.470666 0.663161 O\n0.987245 0.750360 0.127282 O\n0.987245 0.749640 0.627282 O\n0.675488 0.716822 0.005900 O\n0.784348 0.029334 0.163161 O\n0.215652 0.529334 0.336840 O\n0.793922 0.556379 0.198679 O\n0.521617 0.245951 0.694306 O\n0.521617 0.254049 0.194306 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O\n","nsites":24,"nelements":4,"elements":["Ca","Mg","Si","O"],"chemical_system":"Ca-Mg-O-Si","density":2.915710966190264,"density_atomic":0.0772870053308195,"volume":310.53085699556266,"volume_molar":7.791918879794621,"formula_full":"Ca4 Mg2 Si4 O14","formula_reduced":"Ca2MgSi2O7","formula_anonymous":"AB2C2D7","energy_above_hull":1.912363465833333,"spacegroup":113},{"id":"jvasp-34459","created_at":"2022-09-04T14:37:13.741797Z","updated_at":"2022-09-04T14:37:13.741823Z","structure_string":"Ba4 Zn4 Cl2 F14\n1.0\n0.000000 7.706369 0.018865\n5.854690 0.000000 0.000000\n0.000000 -2.598905 -8.622901\nBa Zn Cl F\n4 4 2 14\ndirect\n0.331888 0.750000 0.588946 Ba\n0.702284 0.250000 0.926423 Ba\n0.297715 0.750000 0.073577 Ba\n0.668111 0.250000 0.411054 Ba\n0.185923 0.250000 0.828327 Zn\n0.826518 0.750000 0.732452 Zn\n0.814076 0.750000 0.171672 Zn\n0.173481 0.250000 0.267547 Zn\n0.117905 0.250000 0.530320 Cl\n0.882094 0.750000 0.469679 Cl\n0.373858 0.006230 0.840883 F\n0.626141 0.506230 0.159116 F\n0.638261 0.000656 0.653547 F\n0.638261 0.499344 0.653547 F\n0.373858 0.493770 0.840883 F\n0.361738 -0.000656 0.346452 F\n0.361738 0.500656 0.346452 F\n0.740990 0.750000 0.930606 F\n0.006344 0.501842 0.832212 F\n0.259009 0.250000 0.069393 F\n0.626141 0.993770 0.159116 F\n0.006344 0.998158 0.832212 F\n0.993655 0.001842 0.167788 F\n0.993655 0.498158 0.167788 F\n","nsites":24,"nelements":4,"elements":["Ba","Zn","Cl","F"],"chemical_system":"Ba-Cl-F-Zn","density":4.902744008743624,"density_atomic":0.061734037527033415,"volume":388.76446384201535,"volume_molar":9.754976348927277,"formula_full":"Ba4 Zn4 Cl2 F14","formula_reduced":"Ba2Zn2ClF7","formula_anonymous":"AB2C2D7","energy_above_hull":0.0,"spacegroup":11},{"id":"jvasp-55536","created_at":"2022-09-04T14:37:13.649284Z","updated_at":"2022-09-04T14:37:13.649313Z","structure_string":"Dy4 Be4 Ge2 O14\n1.0\n7.434175 0.000000 0.000000\n0.000000 7.434175 0.000000\n0.000000 -0.000000 4.810873\nDy Be Ge O\n4 4 2 14\ndirect\n0.658001 0.841998 0.505015 Dy\n0.158001 0.658001 0.494984 Dy\n0.841998 0.341998 0.494984 Dy\n0.341998 0.158001 0.505015 Dy\n0.364542 0.864542 0.048416 Be\n0.864542 0.635457 0.951583 Be\n0.635457 0.135457 0.048416 Be\n0.135457 0.364542 0.951583 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.857630 0.642369 0.282127 O\n0.357631 0.857630 0.717872 O\n0.642369 0.142369 0.717872 O\n0.142369 0.357631 0.282127 O\n0.500000 0.000000 0.185738 O\n0.000000 0.500000 0.814262 O\n0.172002 0.918795 0.218936 O\n0.327997 0.418795 0.781063 O\n0.418795 0.672002 0.218936 O\n0.581205 0.327997 0.218936 O\n0.081205 0.172002 0.781063 O\n0.918795 0.827997 0.781063 O\n0.672002 0.581205 0.781063 O\n0.827997 0.081205 0.218936 O\n","nsites":24,"nelements":4,"elements":["Dy","Be","Ge","O"],"chemical_system":"Be-Dy-Ge-O","density":6.590888257474678,"density_atomic":0.0902654993686279,"volume":265.8823157005797,"volume_molar":6.671586378098538,"formula_full":"Dy4 Be4 Ge2 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