{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=70","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=structure_string&page=68","results":[{"id":"jvasp-113649","created_at":"2022-09-04T14:38:45.530436Z","updated_at":"2022-09-04T14:38:45.530463Z","structure_string":"Al1 H2 O2\n1.0\n2.911883 0.000000 -0.000000\n-1.455942 2.521765 0.000000\n-0.000000 -0.000000 5.721107\nAl H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666665 0.333333 0.357368 H\n0.333332 0.666666 0.642632 H\n0.333332 0.666666 0.835522 O\n0.666665 0.333333 0.164479 O\n","nsites":5,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":2.410978877755766,"density_atomic":0.1190176580573275,"volume":42.01057289828068,"volume_molar":5.0598716680337485,"formula_full":"Al1 H2 O2","formula_reduced":"Al(HO)2","formula_anonymous":"AB2C2","energy_above_hull":2.19427796,"spacegroup":164},{"id":"jvasp-112082","created_at":"2022-09-04T14:38:42.521184Z","updated_at":"2022-09-04T14:38:42.521209Z","structure_string":"Al1 H6 C5 Cl1 O4\n1.0\n4.677305 -0.025715 1.238956\n0.260252 5.906839 0.338095\n-0.034912 -0.213391 6.762421\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.074651 0.687940 0.440232 Al\n0.517413 0.267184 0.574967 H\n0.802016 0.101539 0.634754 H\n0.423508 0.893664 0.908390 H\n0.157274 0.076371 0.844546 H\n0.512761 0.399437 0.898937 H\n0.619861 0.194485 0.056191 H\n0.576338 0.101072 0.632849 C\n0.382232 0.064052 0.850288 C\n0.534609 0.928245 0.488041 C\n0.194312 0.324403 0.159880 C\n0.441672 0.246623 0.988212 C\n0.015944 0.555692 0.743212 Cl\n0.728632 0.778429 0.409177 O\n0.252055 0.515001 0.241203 O\n0.967859 0.229558 0.220320 O\n0.288799 0.926134 0.448217 O\n","nsites":17,"nelements":5,"elements":["Al","H","C","Cl","O"],"chemical_system":"Al-C-Cl-H-O","density":1.706002299485381,"density_atomic":0.09071385636025608,"volume":187.40246178585025,"volume_molar":6.6386117861465355,"formula_full":"Al1 H6 C5 Cl1 O4","formula_reduced":"AlH6C5ClO4","formula_anonymous":"ABC4D5E6","energy_above_hull":4.1528735804411765,"spacegroup":1},{"id":"jvasp-103901","created_at":"2022-09-04T14:37:00.346578Z","updated_at":"2022-09-04T14:37:00.346603Z","structure_string":"Al1 H6 C5 Cl1 O4\n1.0\n5.118396 0.046620 1.105424\n-0.075029 5.295854 2.726600\n-0.085888 -0.227230 6.285874\nAl H C Cl O\n1 6 5 1 4\ndirect\n0.238677 0.900178 0.529172 Al\n0.750984 0.557572 0.502027 H\n0.803664 0.283918 0.456094 H\n0.119549 0.551619 0.060661 H\n0.970441 0.812529 0.103490 H\n0.525580 0.612411 0.153305 H\n0.703126 0.399435 0.055950 H\n0.891279 0.460197 0.416338 C\n0.941804 0.617482 0.142988 C\n0.140379 0.408731 0.515021 C\n0.692299 0.760790 0.792124 C\n0.708681 0.589109 0.045147 C\n0.351882 0.071631 0.141215 Cl\n0.257742 0.200241 0.558727 O\n0.472537 0.778966 0.730055 O\n0.889809 0.878159 0.643055 O\n0.244466 0.574453 0.547504 O\n","nsites":17,"nelements":5,"elements":["Al","H","C","Cl","O"],"chemical_system":"Al-C-Cl-H-O","density":1.836452565961429,"density_atomic":0.09765033395986718,"volume":174.09054644899365,"volume_molar":6.167045739418575,"formula_full":"Al1 H6 C5 Cl1 O4","formula_reduced":"AlH6C5ClO4","formula_anonymous":"ABC4D5E6","energy_above_hull":4.151648874558823,"spacegroup":1},{"id":"jvasp-112085","created_at":"2022-09-04T14:38:41.429359Z","updated_at":"2022-09-04T14:38:41.429392Z","structure_string":"Al1 H8 C5 Cl1 O5\n1.0\n5.254432 -0.126352 0.507822\n1.429944 5.227233 0.911337\n-0.281040 -0.172319 7.178374\nAl H C Cl O\n1 8 5 1 5\ndirect\n0.179051 0.679716 0.395673 Al\n0.568277 0.210868 0.601001 H\n0.757903 0.915518 0.696508 H\n0.466526 0.885905 0.966474 H\n0.201514 0.108920 0.852321 H\n0.459203 0.446566 0.848193 H\n0.682051 0.237797 0.001625 H\n0.742661 0.954463 0.302948 H\n0.975797 0.109464 0.222570 H\n0.554057 0.028992 0.679238 C\n0.413671 0.063479 0.870677 C\n0.291073 0.376209 0.110822 C\n0.425581 0.901756 0.555088 C\n0.479541 0.280233 0.955866 C\n0.945423 0.433678 0.542956 Cl\n0.271493 0.760981 0.623369 O\n0.378703 0.506352 0.223618 O\n0.063219 0.348767 0.123360 O\n0.455462 0.920566 0.375616 O\n0.936125 0.942845 0.279771 O\n","nsites":20,"nelements":5,"elements":["Al","H","C","Cl","O"],"chemical_system":"Al-C-Cl-H-O","density":1.748666101736721,"density_atomic":0.10003120876780205,"volume":199.93760193806216,"volume_molar":6.020261910439296,"formula_full":"Al1 H8 C5 Cl1 O5","formula_reduced":"AlH8C5ClO5","formula_anonymous":"ABC5D5E8","energy_above_hull":4.039540718375,"spacegroup":1},{"id":"jvasp-100434","created_at":"2022-09-04T14:36:53.377649Z","updated_at":"2022-09-04T14:36:53.377668Z","structure_string":"Al1 In1 Ag2 S4\n1.0\n5.262837 -0.006490 -4.365164\n-1.165526 5.132158 -4.365164\n0.005188 0.006490 6.837549\nAl In Ag S\n1 1 2 4\ndirect\n0.250000 0.750000 0.500001 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500001 Ag\n0.500000 0.500000 0.000001 Ag\n0.134433 0.091270 0.491550 S\n0.599721 0.642883 0.508451 S\n0.357117 0.865568 0.956839 S\n0.908730 0.400280 0.043163 S\n","nsites":8,"nelements":4,"elements":["Al","In","Ag","S"],"chemical_system":"Ag-Al-In-S","density":4.362170930556029,"density_atomic":0.04326031616941444,"volume":184.9269887134134,"volume_molar":13.920704454438836,"formula_full":"Al1 In1 Ag2 S4","formula_reduced":"AlIn(AgS2)2","formula_anonymous":"ABC2D4","energy_above_hull":1.11629341125,"spacegroup":82},{"id":"jvasp-100042","created_at":"2022-09-04T14:36:58.206371Z","updated_at":"2022-09-04T14:36:58.206396Z","structure_string":"Al1 In1 Ag2 Se4\n1.0\n5.511212 -0.007450 -4.615505\n-1.206030 5.377639 -4.615505\n0.005972 0.007450 7.188623\nAl In Ag Se\n1 1 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000001 Ag\n0.601834 0.636706 0.503163 Se\n0.133543 0.098671 0.496838 Se\n0.901329 0.398166 0.034873 Se\n0.363294 0.866457 0.965128 Se\n","nsites":8,"nelements":4,"elements":["Al","In","Ag","Se"],"chemical_system":"Ag-Al-In-Se","density":5.240599248085074,"density_atomic":0.03749421331001483,"volume":213.36625825039442,"volume_molar":16.061520507729835,"formula_full":"Al1 In1 Ag2 Se4","formula_reduced":"AlIn(AgSe2)2","formula_anonymous":"ABC2D4","energy_above_hull":0.8412638445833334,"spacegroup":82},{"id":"jvasp-51284","created_at":"2022-09-04T14:37:02.925364Z","updated_at":"2022-09-04T14:37:02.925383Z","structure_string":"Al1 In1 B1\n1.0\n0.000000 3.017458 3.017458\n3.017458 0.000000 3.017458\n3.017458 3.017458 -0.000000\nAl In B\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 B\n","nsites":3,"nelements":3,"elements":["Al","In","B"],"chemical_system":"Al-B-In","density":4.6119004607304275,"density_atomic":0.054596846344972055,"volume":54.94822871351207,"volume_molar":11.030198927514782,"formula_full":"Al1 In1 B1","formula_reduced":"AlInB","formula_anonymous":"ABC","energy_above_hull":2.007968451111111,"spacegroup":216},{"id":"jvasp-104768","created_at":"2022-09-04T14:37:00.616361Z","updated_at":"2022-09-04T14:37:00.616403Z","structure_string":"Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n","nsites":7,"nelements":4,"elements":["Al","In","Cu","O"],"chemical_system":"Al-Cu-In-O","density":5.6148144840481224,"density_atomic":0.08787765059160405,"volume":79.65620328803817,"volume_molar":6.852869551539153,"formula_full":"Al1 In1 Cu1 O4","formula_reduced":"AlInCuO4","formula_anonymous":"ABCD4","energy_above_hull":1.4252981742857145,"spacegroup":160},{"id":"jvasp-106852","created_at":"2022-09-04T14:36:54.018959Z","updated_at":"2022-09-04T14:36:54.018984Z","structure_string":"Al1 In1 Cu2 Se4\n1.0\n5.250501 0.013528 -4.668923\n-1.049472 5.144565 -4.668923\n-0.011018 -0.013528 7.026128\nAl In Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.500001 Al\n0.500000 0.500001 0.000001 In\n0.250000 0.750001 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.100633 0.103553 0.468681 Se\n0.634872 0.631953 0.531320 Se\n0.368048 0.899367 0.002921 Se\n0.896447 0.365129 0.997081 Se\n","nsites":8,"nelements":4,"elements":["Al","In","Cu","Se"],"chemical_system":"Al-Cu-In-Se","density":5.131311338734442,"density_atomic":0.04227783471356165,"volume":189.2244495064882,"volume_molar":14.244203377019806,"formula_full":"Al1 In1 Cu2 Se4","formula_reduced":"AlIn(CuSe2)2","formula_anonymous":"ABC2D4","energy_above_hull":0.7908571420833334,"spacegroup":82},{"id":"jvasp-109795","created_at":"2022-09-04T14:38:16.058346Z","updated_at":"2022-09-04T14:38:16.058372Z","structure_string":"Al1 In1 Sb2\n1.0\n4.352081 0.007810 6.551900\n1.983555 3.873780 6.551900\n0.012748 0.007810 7.865612\nAl In Sb\n1 1 2\ndirect\n0.999611 0.999609 0.999608 Al\n0.500729 0.500728 0.500727 In\n0.120415 0.120414 0.120414 Sb\n0.629249 0.629248 0.629247 Sb\n","nsites":4,"nelements":3,"elements":["Al","In","Sb"],"chemical_system":"Al-In-Sb","density":4.845774190407475,"density_atomic":0.03029374983881859,"volume":132.0404380864853,"volume_molar":19.87915260422199,"formula_full":"Al1 In1 Sb2","formula_reduced":"AlInSb2","formula_anonymous":"ABC2","energy_above_hull":1.0634637425000002,"spacegroup":160},{"id":"jvasp-103127","created_at":"2022-09-04T14:36:37.484342Z","updated_at":"2022-09-04T14:36:37.484368Z","structure_string":"Al1 In1 Sb2\n1.0\n4.529713 0.000000 0.000000\n0.000000 4.529713 0.000000\n0.000000 0.000000 6.420070\nAl In Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.233044 Sb\n0.500000 0.000000 0.766956 Sb\n","nsites":4,"nelements":3,"elements":["Al","In","Sb"],"chemical_system":"Al-In-Sb","density":4.85723362935103,"density_atomic":0.030365389449540956,"volume":131.72892139739935,"volume_molar":19.832252670452867,"formula_full":"Al1 In1 Sb2","formula_reduced":"AlInSb2","formula_anonymous":"ABC2","energy_above_hull":1.0632112425000004,"spacegroup":115},{"id":"jvasp-112384","created_at":"2022-09-04T14:38:40.712731Z","updated_at":"2022-09-04T14:38:40.712759Z","structure_string":"Al1 In3 Cu4 Se8\n1.0\n5.587022 0.000234 1.553120\n2.579133 6.446578 1.547392\n-0.007084 0.034854 10.859953\nAl In Cu Se\n1 3 4 8\ndirect\n0.247302 0.375830 0.124638 Al\n0.252531 0.874192 0.625431 In\n0.500978 0.249735 0.754790 In\n0.498695 0.750545 0.245020 In\n0.748997 0.616678 0.880869 Cu\n0.751637 0.133132 0.368882 Cu\n0.993254 0.001651 0.005518 Cu\n0.006392 0.498133 0.494592 Cu\n0.359896 0.682941 0.050521 Se\n0.381083 0.204187 0.547542 Se\n0.897171 0.424252 0.312914 Se\n0.876636 0.916995 0.831644 Se\n0.103522 0.311485 0.952152 Se\n0.092778 0.815875 0.435102 Se\n0.665783 0.559924 0.686189 Se\n0.623348 0.084437 0.184194 Se\n","nsites":16,"nelements":4,"elements":["Al","In","Cu","Se"],"chemical_system":"Al-Cu-In-Se","density":5.338980992156057,"density_atomic":0.04091574880765878,"volume":391.0474686706712,"volume_molar":14.718393126102953,"formula_full":"Al1 In3 Cu4 Se8","formula_reduced":"AlIn3(CuSe2)4","formula_anonymous":"AB3C4D8","energy_above_hull":0.7214482152083332,"spacegroup":1}]}