{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=596","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=594","results":[{"id":"jvasp-113193","created_at":"2022-09-04T14:38:46.232572Z","updated_at":"2022-09-04T14:38:46.232588Z","structure_string":"Co6 P4 O16\n1.0\n4.736850 0.000082 0.000072\n-0.000117 5.896110 -0.109269\n-0.000131 -0.057617 10.227228\nCo P O\n6 4 16\ndirect\n0.499999 0.500001 0.500002 Co\n0.015404 0.761285 0.722889 Co\n0.484593 0.761284 0.222888 Co\n0.000000 0.499998 -0.000003 Co\n0.515405 0.238715 0.777111 Co\n0.984594 0.238717 0.277111 Co\n0.927535 0.746629 0.403010 P\n0.572464 0.746630 0.903010 P\n0.072464 0.253369 0.596990 P\n0.427537 0.253371 0.096989 P\n0.251487 0.733236 0.399148 O\n0.807127 0.944864 0.322805 O\n0.692877 0.944866 0.822808 O\n0.751489 0.266763 0.100852 O\n0.248513 0.733240 0.899148 O\n0.748513 0.266758 0.600852 O\n0.809182 0.745883 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0.273692 0.733514 Al\n0.767175 0.773692 0.733514 Al\n0.267175 0.726308 0.266486 Al\n0.616568 0.991270 0.250267 P\n0.116568 0.508731 0.749733 P\n0.383432 0.008731 0.749732 P\n0.883433 0.491270 0.250267 P\n0.753863 0.583428 0.052301 O\n0.828013 0.008190 0.770036 O\n0.328012 0.491811 0.229964 O\n0.261965 0.081854 0.555216 O\n0.761965 0.418147 0.444783 O\n0.738036 0.918147 0.444783 O\n0.238036 0.581854 0.555217 O\n0.253863 0.916573 0.947699 O\n0.746138 0.083428 0.052301 O\n0.494772 0.194638 0.738222 O\n0.005228 0.694638 0.738222 O\n0.505229 0.805362 0.261778 O\n0.994772 0.305362 0.261778 O\n0.671988 0.508190 0.770036 O\n0.992341 0.319253 0.781260 O\n0.492341 0.180748 0.218739 O\n0.007660 0.680748 0.218739 O\n0.507660 0.819253 0.781261 O\n0.246138 0.416573 0.947699 O\n0.171988 0.991811 0.229964 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0.864318 0.394431 O\n0.864317 0.864319 0.876930 O\n","nsites":14,"nelements":3,"elements":["Mg","Ti","O"],"chemical_system":"Mg-O-Ti","density":3.974076008958477,"density_atomic":0.09102923868192664,"volume":153.796738308651,"volume_molar":6.615611475168433,"formula_full":"Mg2 Ti4 O8","formula_reduced":"MgTi2O4","formula_anonymous":"AB2C4","energy_above_hull":2.2524885309523803,"spacegroup":74},{"id":"jvasp-70430","created_at":"2022-09-04T14:36:09.133122Z","updated_at":"2022-09-04T14:36:09.133141Z","structure_string":"Li1 Be2 Ga1\n1.0\n-1.980845 1.980845 2.799824\n1.980845 -1.980845 2.799824\n1.980845 1.980845 -2.799824\nLi Be Ga\n1 2 1\ndirect\n0.749998 0.250000 0.499999 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.749998 0.499999 Be\n0.499999 0.499999 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Li","Be","Ga"],"chemical_system":"Be-Ga-Li","density":3.5781125728987493,"density_atomic":0.09102659151051981,"volume":43.94320311925253,"volume_molar":6.615803865735246,"formula_full":"Li1 Be2 Ga1","formula_reduced":"LiBe2Ga","formula_anonymous":"ABC2","energy_above_hull":1.00609613125,"spacegroup":216},{"id":"jvasp-22411","created_at":"2022-09-04T14:38:30.537449Z","updated_at":"2022-09-04T14:38:30.537474Z","structure_string":"Ho2 Cu4 O8\n1.0\n5.063689 0.105223 -2.510216\n-1.362948 4.859609 -2.545226\n-0.052979 -0.025373 6.256472\nHo Cu O\n2 4 8\ndirect\n0.874998 0.124998 0.749994 Ho\n0.125002 0.875003 0.250004 Ho\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000001 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.499999 Cu\n0.721586 0.529961 0.855203 O\n0.133616 0.825244 0.855203 O\n0.278413 0.470039 0.144795 O\n0.866383 0.174756 0.144795 O\n0.529991 0.133625 0.355198 O\n0.825208 0.721574 0.355197 O\n0.174792 0.278426 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O\n0.983757 0.230258 0.753499 O\n0.519660 0.253983 0.734323 O\n0.519661 0.785337 0.265678 O\n","nsites":14,"nelements":5,"elements":["Li","Cu","Ru","Rh","O"],"chemical_system":"Cu-Li-O-Rh-Ru","density":6.546306854538033,"density_atomic":0.09101067337627025,"volume":153.82811137018027,"volume_molar":6.616960996544158,"formula_full":"Li1 Cu1 Ru2 Rh2 O8","formula_reduced":"LiCuRu2(RhO4)2","formula_anonymous":"ABC2D2E8","energy_above_hull":2.952075389285714,"spacegroup":44},{"id":"jvasp-43374","created_at":"2022-09-04T14:37:35.361625Z","updated_at":"2022-09-04T14:37:35.361652Z","structure_string":"Li2 Fe2 F8\n1.0\n3.340966 3.213679 -0.000000\n-3.340966 3.213679 -0.000000\n0.000000 0.000000 6.140265\nLi Fe F\n2 2 8\ndirect\n0.500070 0.500070 0.250000 Li\n0.499931 0.499931 0.750001 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.194038 0.805930 0.250000 F\n0.194071 0.805962 0.750001 F\n0.293918 0.293918 0.000015 F\n0.293918 0.293918 0.499985 F\n0.706082 0.706082 0.500016 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O\n0.735655 0.735654 0.296363 O\n0.735655 0.296363 0.735655 O\n","nsites":12,"nelements":3,"elements":["Al","Cr","O"],"chemical_system":"Al-Cr-O","density":3.9161833060671025,"density_atomic":0.09100884353594976,"volume":131.85531794236934,"volume_molar":6.617094038362514,"formula_full":"Al1 Cr3 O8","formula_reduced":"AlCr3O8","formula_anonymous":"AB3C8","energy_above_hull":3.42286525,"spacegroup":166},{"id":"jvasp-59285","created_at":"2022-09-04T14:38:02.279648Z","updated_at":"2022-09-04T14:38:02.279669Z","structure_string":"Mg8 Si8 O24\n1.0\n5.362356 -0.000000 0.000000\n-0.000000 8.773154 0.000000\n0.000000 0.000000 9.342601\nMg Si O\n8 8 24\ndirect\n0.250000 0.904301 0.000000 Mg\n0.750001 0.595699 0.500000 Mg\n0.750001 0.095699 0.000000 Mg\n0.250000 0.404301 0.500000 Mg\n0.750001 0.736915 0.000000 Mg\n0.250000 0.763084 0.500000 Mg\n0.250000 0.263085 0.000000 Mg\n0.750001 0.236915 0.500000 Mg\n0.933683 0.408399 0.207776 Si\n0.433682 0.091601 0.292224 Si\n0.066318 0.091601 0.707776 Si\n0.566318 0.408399 0.792224 Si\n0.566318 0.908398 0.707776 Si\n0.433682 0.591601 0.207776 Si\n0.933683 0.908398 0.292224 Si\n0.066318 0.591601 0.792224 Si\n0.069851 0.750730 0.877399 O\n0.578605 0.406002 0.617804 O\n0.078604 0.093998 0.882196 O\n0.078604 0.593998 0.617804 O\n0.578605 0.906001 0.882196 O\n0.421396 0.593998 0.382196 O\n0.921397 0.906001 0.117804 O\n0.930149 0.749269 0.377399 O\n0.430149 0.750730 0.122601 O\n0.569852 0.749269 0.622601 O\n0.069851 0.250730 0.622601 O\n0.288411 0.973779 0.650088 O\n0.430149 0.250730 0.377399 O\n0.930149 0.249270 0.122601 O\n0.711589 0.026220 0.349911 O\n0.211589 0.473779 0.150088 O\n0.788412 0.026220 0.650088 O\n0.288411 0.473779 0.849911 O\n0.421396 0.093998 0.117804 O\n0.788412 0.526220 0.849911 O\n0.211589 0.973779 0.349911 O\n0.711589 0.526220 0.150088 O\n0.569852 0.249270 0.877399 O\n0.921397 0.406002 0.382196 O\n","nsites":40,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.03420358737088,"density_atomic":0.09100825642706276,"volume":439.5205618740473,"volume_molar":6.617136726299505,"formula_full":"Mg8 Si8 O24","formula_reduced":"MgSiO3","formula_anonymous":"ABC3","energy_above_hull":1.42321363,"spacegroup":60},{"id":"jvasp-117440","created_at":"2022-09-04T14:38:27.505962Z","updated_at":"2022-09-04T14:38:27.505987Z","structure_string":"V8 O8 F8\n1.0\n7.691798 0.030182 0.020392\n-2.071423 7.407690 0.020392\n-0.004800 -0.006352 4.623363\nV O F\n8 8 8\ndirect\n0.615280 0.615279 0.566976 V\n0.361219 0.862713 0.476032 V\n0.142326 0.142326 0.446249 V\n0.862713 0.361218 0.476032 V\n0.514877 0.246356 0.011087 V\n0.766622 0.994038 0.012295 V\n0.246356 0.514877 0.011087 V\n0.994038 0.766621 0.012295 V\n0.772947 0.772946 0.805867 O\n0.395686 0.650620 0.700212 O\n0.650620 0.395685 0.700212 O\n0.098985 0.353439 0.295778 O\n0.353439 0.098985 0.295778 O\n0.209839 0.725498 0.193385 O\n0.725498 0.209838 0.193385 O\n0.981448 0.981447 0.208426 O\n0.475963 0.475963 0.207662 F\n0.596122 0.836725 0.297774 F\n0.836725 0.596121 0.297774 F\n0.913605 0.153326 0.703911 F\n0.153326 0.913605 0.703911 F\n0.018791 0.534272 0.791950 F\n0.534271 0.018790 0.791950 F\n0.279312 0.279312 0.799957 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.328951386701667,"density_atomic":0.09100453563925467,"volume":263.7231191985516,"volume_molar":6.617407272833068,"formula_full":"V8 O8 F8","formula_reduced":"VOF","formula_anonymous":"ABC","energy_above_hull":1.0557226608333332,"spacegroup":8},{"id":"jvasp-47526","created_at":"2022-09-04T14:37:03.721229Z","updated_at":"2022-09-04T14:37:03.721248Z","structure_string":"Li2 Mn2 P2 O8\n1.0\n4.938260 -0.007685 0.001638\n-2.462153 4.899450 -0.024315\n-0.004103 -1.684531 6.371581\nLi Mn P O\n2 2 2 8\ndirect\n0.062594 0.001213 0.498648 Li\n0.031627 0.001347 -0.001438 Li\n0.355588 0.710903 0.273477 Mn\n0.646082 0.291888 0.723436 Mn\n0.316984 0.650596 0.769878 P\n0.667697 0.352154 0.227031 P\n0.748688 0.668983 0.327089 O\n0.305344 0.835275 0.623329 O\n0.211494 0.732745 0.983474 O\n0.647053 0.690539 0.792443 O\n0.957834 0.312253 0.204434 O\n0.480061 0.270024 0.013444 O\n0.471361 0.167471 0.373593 O\n0.081104 0.333769 0.669817 O\n","nsites":14,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.386003526491867,"density_atomic":0.09100195003131852,"volume":153.84285716055393,"volume_molar":6.617595291010212,"formula_full":"Li2 Mn2 P2 O8","formula_reduced":"LiMnPO4","formula_anonymous":"ABCD4","energy_above_hull":2.5517166773399014,"spacegroup":5},{"id":"jvasp-21571","created_at":"2022-09-04T14:37:39.962226Z","updated_at":"2022-09-04T14:37:39.962253Z","structure_string":"Sc2 B8 Ir6\n1.0\n3.825092 -6.625254 0.000000\n3.825092 6.625254 -0.000000\n0.000000 -0.000000 3.469003\nSc B Ir\n2 8 6\ndirect\n0.333333 0.666667 0.749999 Sc\n0.666667 0.333333 0.250000 Sc\n0.599907 0.548542 0.749999 B\n0.051365 0.599907 0.250000 B\n0.548542 0.948634 0.250000 B\n0.451457 0.051365 0.749999 B\n0.000000 0.000000 0.000000 B\n0.400092 0.451457 0.250000 B\n0.000000 0.000000 0.500000 B\n0.948634 0.400092 0.749999 B\n0.744867 0.076563 0.749999 Ir\n0.331695 0.255133 0.749999 Ir\n0.668304 0.744867 0.250000 Ir\n0.076563 0.331695 0.250000 Ir\n0.255133 0.923437 0.250000 Ir\n0.923437 0.668304 0.749999 Ir\n","nsites":16,"nelements":3,"elements":["Sc","B","Ir"],"chemical_system":"B-Ir-Sc","density":12.55810970828613,"density_atomic":0.09099989547004676,"volume":175.8243777902636,"volume_molar":6.617744700577408,"formula_full":"Sc2 B8 Ir6","formula_reduced":"ScB4Ir3","formula_anonymous":"AB3C4","energy_above_hull":4.9365423604166665,"spacegroup":176}]}