{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=131","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density&page=129","results":[{"id":"jvasp-7669","created_at":"2022-09-04T14:37:07.541012Z","updated_at":"2022-09-04T14:37:07.541026Z","structure_string":"Li2 Al2\n1.0\n3.900753 0.000000 -2.249481\n-1.297227 3.678733 -2.249481\n-0.002051 -0.002898 4.503272\nLi Al\n2 2\ndirect\n0.374999 0.624999 0.749999 Li\n0.624999 0.374999 0.249999 Li\n0.874999 0.124999 0.749999 Al\n0.124999 0.874999 0.249999 Al\n","nsites":4,"nelements":2,"elements":["Li","Al"],"chemical_system":"Al-Li","density":1.744755084113918,"density_atomic":0.06194796230191748,"volume":64.5703240488378,"volume_molar":9.721289508522858,"formula_full":"Li2 Al2","formula_reduced":"LiAl","formula_anonymous":"AB","energy_above_hull":0.6724814000000002,"spacegroup":227},{"id":"jvasp-93320","created_at":"2022-09-04T14:36:05.816320Z","updated_at":"2022-09-04T14:36:05.816345Z","structure_string":"Ca1 Mg5\n1.0\n5.891068 0.000000 -0.000000\n-2.945534 5.101815 0.000000\n-0.000000 -0.000000 5.116417\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.603977 0.000000 Mg\n0.603978 0.000000 0.000000 Mg\n0.396023 0.396022 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666666 0.500000 Mg\n","nsites":6,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.7450739712827419,"density_atomic":0.039018141106199444,"volume":153.7746245693566,"volume_molar":15.434207241213665,"formula_full":"Ca1 Mg5","formula_reduced":"CaMg5","formula_anonymous":"AB5","energy_above_hull":0.0318451666666666,"spacegroup":189},{"id":"jvasp-104112","created_at":"2022-09-04T14:36:49.037603Z","updated_at":"2022-09-04T14:36:49.037625Z","structure_string":"H6 C12 S3 O1\n1.0\n4.366097 0.017554 -0.169698\n-1.953204 5.431834 -1.206549\n-0.247412 -0.084802 10.541107\nH C S O\n6 12 3 1\ndirect\n0.623971 0.722459 0.867615 H\n0.216125 0.112900 0.203052 H\n0.497561 0.449509 0.372681 H\n0.415270 0.880430 0.005887 H\n0.837872 0.545240 0.657916 H\n0.299179 0.652691 0.578726 H\n0.780691 0.815595 0.352873 C\n0.590665 0.012654 0.553987 C\n0.935585 0.761457 0.240029 C\n0.325462 0.343544 0.863869 C\n0.537574 0.176620 0.664396 C\n0.122012 0.536067 0.050687 C\n0.569679 0.647878 0.409881 C\n0.545961 0.527584 0.821629 C\n0.143070 0.913184 0.174751 C\n0.664945 0.429558 0.707821 C\n0.252074 0.786822 0.066665 C\n0.462311 0.757954 0.521479 C\n0.843959 0.116049 0.440613 S\n0.869512 0.452359 0.166434 S\n0.266770 0.052246 0.767923 S\n0.141998 0.336649 0.963949 O\n","nsites":22,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7451084619735417,"density_atomic":0.08812134235406945,"volume":249.65575208335486,"volume_molar":6.833918548134664,"formula_full":"H6 C12 S3 O1","formula_reduced":"H6C12S3O","formula_anonymous":"AB3C6D12","energy_above_hull":5.542591977272727,"spacegroup":1},{"id":"jvasp-115215","created_at":"2022-09-04T14:38:43.686380Z","updated_at":"2022-09-04T14:38:43.686407Z","structure_string":"Li1 Si1\n1.0\n2.588428 0.000000 0.000000\n0.000000 2.588428 0.000000\n0.000000 0.000000 4.973160\nLi Si\n1 1\ndirect\n0.000000 0.000000 -0.133253 Li\n0.000000 -0.000000 0.366778 Si\n","nsites":2,"nelements":2,"elements":["Li","Si"],"chemical_system":"Li-Si","density":1.7455859202298758,"density_atomic":0.060024062489436425,"volume":33.319970642639824,"volume_molar":10.032877666452235,"formula_full":"Li1 Si1","formula_reduced":"LiSi","formula_anonymous":"AB","energy_above_hull":1.3918142999999996,"spacegroup":123},{"id":"jvasp-74985","created_at":"2022-09-04T14:35:49.525418Z","updated_at":"2022-09-04T14:35:49.525439Z","structure_string":"Na1 Mg2 Be1\n1.0\n-2.383685 2.383685 3.371404\n2.383685 -2.383685 3.371404\n2.383685 2.383685 -3.371404\nNa Mg Be\n1 2 1\ndirect\n0.250000 0.750001 0.500001 Na\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.000000 Mg\n0.750001 0.250000 0.500001 Be\n","nsites":4,"nelements":3,"elements":["Na","Mg","Be"],"chemical_system":"Be-Mg-Na","density":1.7469481493016952,"density_atomic":0.052202520802952186,"volume":76.62465219062352,"volume_molar":11.536111029449431,"formula_full":"Na1 Mg2 Be1","formula_reduced":"NaMg2Be","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-51372","created_at":"2022-09-04T14:37:01.359847Z","updated_at":"2022-09-04T14:37:01.359876Z","structure_string":"H8 N4 O6\n1.0\n5.631960 0.000000 0.000000\n0.000000 5.631960 -0.000000\n0.000000 -0.000000 4.796700\nH N O\n8 4 6\ndirect\n0.527958 0.647698 0.374278 H\n0.972042 0.147698 0.625722 H\n0.472042 0.352302 0.374278 H\n0.027958 0.852302 0.625722 H\n0.647698 0.472042 0.625722 H\n0.852302 0.972042 0.374278 H\n0.352302 0.527958 0.625722 H\n0.147698 0.027958 0.374278 H\n0.500000 0.000000 0.963240 N\n0.000000 0.500000 0.036760 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 N\n0.638642 0.861358 0.095488 O\n0.000000 0.500000 0.298311 O\n0.500000 0.000000 0.701689 O\n0.361358 0.138642 0.095488 O\n0.138642 0.638642 0.904512 O\n0.861358 0.361358 0.904512 O\n","nsites":18,"nelements":3,"elements":["H","N","O"],"chemical_system":"H-N-O","density":1.7472004120096256,"density_atomic":0.11830710428222013,"volume":152.14639990732275,"volume_molar":5.090261313161936,"formula_full":"H8 N4 O6","formula_reduced":"H4N2O3","formula_anonymous":"A2B3C4","energy_above_hull":3.603111888888888,"spacegroup":113},{"id":"jvasp-91877","created_at":"2022-09-04T14:35:57.488990Z","updated_at":"2022-09-04T14:35:57.489009Z","structure_string":"Ca1 Mg7\n1.0\n6.650862 -0.000000 -0.000000\n-3.325432 5.759815 -0.000000\n-0.000000 0.000000 5.215014\nCa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ca\n0.173510 0.836755 0.250000 Mg\n0.663246 0.326491 0.250000 Mg\n0.663246 0.836755 0.250000 Mg\n0.337817 0.162183 0.749999 Mg\n0.337817 0.675635 0.749999 Mg\n0.824365 0.162183 0.749999 Mg\n0.833333 0.666668 0.749999 Mg\n","nsites":8,"nelements":2,"elements":["Ca","Mg"],"chemical_system":"Ca-Mg","density":1.747296945931541,"density_atomic":0.04004497594936256,"volume":199.77537282369988,"volume_molar":15.038442694072494,"formula_full":"Ca1 Mg7","formula_reduced":"CaMg7","formula_anonymous":"AB7","energy_above_hull":0.0,"spacegroup":187},{"id":"jvasp-29731","created_at":"2022-09-04T14:36:44.440657Z","updated_at":"2022-09-04T14:36:44.440684Z","structure_string":"Zn2 B4 H16\n1.0\n4.265517 0.000000 0.000000\n0.000000 5.184536 0.000000\n0.000000 0.000000 8.172818\nZn B H\n2 4 16\ndirect\n0.000000 0.287479 0.009592 Zn\n0.000000 0.712522 0.509592 Zn\n0.500000 0.930359 0.472718 B\n0.000000 0.542123 0.246103 B\n0.000000 0.457878 0.746103 B\n0.500000 0.069641 0.972718 B\n0.720946 0.971820 0.570515 H\n0.000000 0.584931 0.875742 H\n0.500000 0.709404 0.420415 H\n0.500000 0.914615 0.863252 H\n0.247082 0.513238 0.677937 H\n0.500000 0.085385 0.363252 H\n0.000000 0.777058 0.256324 H\n0.000000 0.415070 0.375742 H\n0.247082 0.486763 0.177937 H\n0.279055 0.971820 0.570515 H\n0.000000 0.222942 0.756324 H\n0.752919 0.486763 0.177937 H\n0.720946 0.028181 0.070515 H\n0.500000 0.290597 0.920416 H\n0.279055 0.028181 0.070515 H\n0.752919 0.513238 0.677937 H\n","nsites":22,"nelements":3,"elements":["Zn","B","H"],"chemical_system":"B-H-Zn","density":1.7473551503243496,"density_atomic":0.12172205658392007,"volume":180.73963435568734,"volume_molar":4.947452359094914,"formula_full":"Zn2 B4 H16","formula_reduced":"Zn(BH4)2","formula_anonymous":"AB2C8","energy_above_hull":3.072438687878788,"spacegroup":26},{"id":"jvasp-94780","created_at":"2022-09-04T14:36:07.236816Z","updated_at":"2022-09-04T14:36:07.236844Z","structure_string":"Li1 Mg6 Al1\n1.0\n6.262643 0.010014 0.000000\n-3.122649 5.428614 0.000000\n0.000000 0.000000 5.018670\nLi Mg Al\n1 6 1\ndirect\n0.330491 0.169508 0.750000 Li\n0.167688 0.839838 0.250000 Mg\n0.660161 0.332310 0.250000 Mg\n0.666889 0.833108 0.250000 Mg\n0.331521 0.660371 0.750000 Mg\n0.839627 0.168477 0.750000 Mg\n0.834886 0.665112 0.750000 Mg\n0.168731 0.331268 0.250000 Al\n","nsites":8,"nelements":3,"elements":["Li","Mg","Al"],"chemical_system":"Al-Li-Mg","density":1.747791408850779,"density_atomic":0.046844160171901884,"volume":170.77902497649148,"volume_molar":12.855691590799843,"formula_full":"Li1 Mg6 Al1","formula_reduced":"LiMg6Al","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-103801","created_at":"2022-09-04T14:37:14.669272Z","updated_at":"2022-09-04T14:37:14.669294Z","structure_string":"H4 C8 S2 O4\n1.0\n4.640253 -0.010365 -0.137817\n-0.744197 6.650092 -0.563860\n-0.077517 0.053642 7.023423\nH C S O\n4 8 2 4\ndirect\n0.590916 0.682598 0.028836 H\n0.723466 0.942690 0.075526 H\n0.590903 0.182623 0.528832 H\n0.723450 0.442713 0.575539 H\n0.814211 0.762800 0.302466 C\n0.814194 0.262811 0.802467 C\n0.328361 0.359658 0.711067 C\n0.616016 0.310158 0.638496 C\n0.328379 0.859645 0.211063 C\n0.616033 0.810141 0.138493 C\n0.100635 0.693599 0.247810 C\n0.100618 0.193610 0.747809 C\n0.156198 0.460779 0.259319 S\n0.156184 0.960791 0.759316 S\n0.283484 0.033039 0.260988 O\n0.748983 0.276427 0.970048 O\n0.748998 0.776421 0.470046 O\n0.283466 0.533050 0.761000 O\n","nsites":18,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7486050073544763,"density_atomic":0.08304508403963617,"volume":216.7497354979961,"volume_molar":7.2516523158983395,"formula_full":"H4 C8 S2 O4","formula_reduced":"H2C4SO2","formula_anonymous":"AB2C2D4","energy_above_hull":4.713044111111111,"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-112090","created_at":"2022-09-04T14:38:42.577814Z","updated_at":"2022-09-04T14:38:42.577834Z","structure_string":"H6 C4 S2 N2 O2\n1.0\n5.422659 0.066672 0.726099\n2.409676 5.130241 1.555098\n0.039060 -0.116035 6.093504\nH C S N O\n6 4 2 2 2\ndirect\n0.937974 0.076248 0.889239 H\n0.437975 0.576252 0.389240 H\n0.659307 0.086445 0.750090 H\n0.159310 0.586443 0.250093 H\n0.163659 0.125835 0.533990 H\n0.663662 0.625834 0.033993 H\n0.808798 0.164801 0.740450 C\n0.308800 0.664801 0.240451 C\n0.939672 0.012952 0.384448 C\n0.439674 0.512951 0.884449 C\n0.668473 0.966544 0.360588 S\n0.168474 0.466545 0.860588 S\n0.976577 0.123316 0.539673 N\n0.476579 0.623315 0.039675 N\n0.161735 0.946221 0.236475 O\n0.661737 0.446219 0.736477 O\n","nsites":16,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.749459144940349,"density_atomic":0.09457741727522738,"volume":169.17357717052897,"volume_molar":6.367419341210301,"formula_full":"H6 C4 S2 N2 O2","formula_reduced":"H3C2SNO","formula_anonymous":"ABCD2E3","energy_above_hull":4.23164584375,"spacegroup":1}]}