{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3535","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3533","results":[{"id":"jvasp-122873","created_at":"2022-09-04T14:38:54.426763Z","updated_at":"2022-09-04T14:38:54.426785Z","structure_string":"Sm3 Mo1\n1.0\n1.778402 -3.080283 0.000000\n1.778402 3.080283 -0.000000\n0.000000 -0.000000 10.237248\nSm Mo\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333333 0.666666 0.205405 Sm\n0.666666 0.333333 0.794596 Sm\n0.000000 0.000000 0.000000 Mo\n","nsites":4,"nelements":2,"elements":["Sm","Mo"],"chemical_system":"Mo-Sm","density":8.09875993234671,"density_atomic":0.0356636849189386,"volume":112.15890924035916,"volume_molar":16.88591847333769,"formula_full":"Sm3 Mo1","formula_reduced":"Sm3Mo","formula_anonymous":"AB3","energy_above_hull":2.73874063125,"spacegroup":164},{"id":"jvasp-91332","created_at":"2022-09-04T14:36:12.445555Z","updated_at":"2022-09-04T14:36:12.445573Z","structure_string":"Fe4 Ni8 B4 O20\n1.0\n3.012920 0.000000 0.000000\n0.000000 9.134004 -0.000000\n0.000000 -0.000000 12.366774\nFe Ni B O\n4 8 4 20\ndirect\n0.000000 0.238810 0.111145 Fe\n0.000000 0.761188 0.888853 Fe\n0.000000 0.738811 0.388853 Fe\n0.000000 0.261188 0.611146 Fe\n0.500001 -0.002101 0.280417 Ni\n0.500001 0.497900 0.219583 Ni\n0.500001 0.502100 0.780417 Ni\n0.500001 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500001 0.500000 0.500000 Ni\n0.500001 0.002101 0.719582 Ni\n0.000000 0.274098 0.359152 B\n0.000000 0.225903 0.859152 B\n0.000000 0.774097 0.140849 B\n0.000000 0.725902 0.640849 B\n0.000000 0.349184 0.261803 O\n0.000000 0.122621 0.359389 O\n0.500001 0.886828 0.422805 O\n0.500001 0.613172 0.922803 O\n0.500001 0.386828 0.077196 O\n0.000000 0.377379 0.859389 O\n0.000000 0.622621 0.140612 O\n0.000000 0.150815 0.761804 O\n0.000000 0.877379 0.640610 O\n0.500001 0.605034 0.354336 O\n0.500001 0.894967 0.854336 O\n0.500001 0.105034 0.145663 O\n0.000000 0.351078 0.456136 O\n0.500001 0.394966 0.645664 O\n0.500001 0.113172 0.577196 O\n0.000000 0.148921 0.956136 O\n0.000000 0.849184 0.238197 O\n0.000000 0.650814 0.738196 O\n0.000000 0.648921 0.543862 O\n0.000000 0.851079 0.043862 O\n","nsites":36,"nelements":4,"elements":["Fe","Ni","B","O"],"chemical_system":"B-Fe-Ni-O","density":5.153155667654136,"density_atomic":0.10577846945640924,"volume":340.33390901761356,"volume_molar":5.693163070847506,"formula_full":"Fe4 Ni8 B4 O20","formula_reduced":"FeNi2BO5","formula_anonymous":"ABC2D5","energy_above_hull":2.738898931481481,"spacegroup":55},{"id":"jvasp-105376","created_at":"2022-09-04T14:36:56.122152Z","updated_at":"2022-09-04T14:36:56.122172Z","structure_string":"Ti2 Fe1 Ni1 Sb2\n1.0\n4.014634 -0.001945 5.972276\n1.819311 3.578743 5.972276\n-0.003173 -0.001945 7.196205\nTi Fe Ni Sb\n2 1 1 2\ndirect\n0.371894 0.371893 0.371895 Ti\n0.878859 0.878855 0.878860 Ti\n0.997102 0.997098 0.997104 Fe\n0.501092 0.501089 0.501092 Ni\n0.123633 0.123633 0.123633 Sb\n0.627424 0.627421 0.627425 Sb\n","nsites":6,"nelements":4,"elements":["Ti","Fe","Ni","Sb"],"chemical_system":"Fe-Ni-Sb-Ti","density":7.279934987629389,"density_atomic":0.05796588030249533,"volume":103.50916726682938,"volume_molar":10.389112920520516,"formula_full":"Ti2 Fe1 Ni1 Sb2","formula_reduced":"Ti2FeNiSb2","formula_anonymous":"ABC2D2","energy_above_hull":2.738902794444445,"spacegroup":160},{"id":"jvasp-43294","created_at":"2022-09-04T14:36:09.989062Z","updated_at":"2022-09-04T14:36:09.989088Z","structure_string":"Li4 Ti6 Ni2 O16\n1.0\n2.954043 -5.116553 0.000000\n2.954043 5.116553 0.000000\n-0.000000 0.000000 9.568601\nLi Ti Ni O\n4 6 2 16\ndirect\n0.333333 0.666666 0.107867 Li\n0.000000 0.000000 0.001109 Li\n0.000000 0.000000 0.501109 Li\n0.666666 0.333333 0.607866 Li\n0.337062 0.168530 0.285409 Ti\n0.831469 0.662937 0.285409 Ti\n0.831469 0.168530 0.285409 Ti\n0.662937 0.831469 0.785409 Ti\n0.168530 0.831469 0.785409 Ti\n0.168530 0.337062 0.785409 Ti\n0.333333 0.666666 0.512152 Ni\n0.666666 0.333333 0.012152 Ni\n0.840138 0.680278 0.894977 O\n0.319721 0.159860 0.894977 O\n0.666666 0.333333 0.397434 O\n0.964612 0.482305 0.167421 O\n0.517694 0.482305 0.167421 O\n0.159860 0.319721 0.394977 O\n0.482305 0.517694 0.667421 O\n0.482305 0.964612 0.667421 O\n0.680278 0.840138 0.394977 O\n0.000000 0.000000 0.184071 O\n0.000000 0.000000 0.684071 O\n0.333333 0.666666 0.897434 O\n0.517694 0.035387 0.167421 O\n0.159860 0.840139 0.394977 O\n0.035387 0.517694 0.667421 O\n0.840139 0.159860 0.894977 O\n","nsites":28,"nelements":4,"elements":["Li","Ti","Ni","O"],"chemical_system":"Li-Ni-O-Ti","density":3.951676579321305,"density_atomic":0.09680221624808376,"volume":289.2495759419586,"volume_molar":6.221077361045658,"formula_full":"Li4 Ti6 Ni2 O16","formula_reduced":"Li2Ti3NiO8","formula_anonymous":"AB2C3D8","energy_above_hull":2.7389118142857147,"spacegroup":186},{"id":"jvasp-53199","created_at":"2022-09-04T14:38:13.383842Z","updated_at":"2022-09-04T14:38:13.383874Z","structure_string":"Y4 Si1 S3\n1.0\n-5.610244 0.000058 -0.000679\n-0.000063 -5.610278 -0.002886\n2.804470 2.802281 5.627119\nY Si S\n4 1 3\ndirect\n0.748932 0.749074 0.500444 Y\n0.245762 0.245915 0.494086 Y\n0.997350 0.497539 0.997270 Y\n0.497336 0.997516 0.997269 Y\n0.997328 0.997531 0.997251 Si\n0.497356 0.497520 0.997255 S\n0.247340 0.747495 0.497267 S\n0.747342 0.247496 0.497268 S\n","nsites":8,"nelements":3,"elements":["Y","Si","S"],"chemical_system":"S-Si-Y","density":4.500788650211116,"density_atomic":0.04518301733650997,"volume":177.05767502020342,"volume_molar":13.328328020125012,"formula_full":"Y4 Si1 S3","formula_reduced":"Y4SiS3","formula_anonymous":"AB3C4","energy_above_hull":2.73902755,"spacegroup":139},{"id":"jvasp-75844","created_at":"2022-09-04T14:35:55.553111Z","updated_at":"2022-09-04T14:35:55.553144Z","structure_string":"Tc1 As1 Au1\n1.0\n0.000000 3.140117 3.140117\n3.140117 0.000000 3.140117\n3.140117 3.140117 0.000000\nTc As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Au\n","nsites":3,"nelements":3,"elements":["Tc","As","Au"],"chemical_system":"As-Au-Tc","density":9.918638271908309,"density_atomic":0.04844553639259295,"volume":61.925209697103966,"volume_molar":12.430744312949235,"formula_full":"Tc1 As1 Au1","formula_reduced":"TcAsAu","formula_anonymous":"ABC","energy_above_hull":2.73917694,"spacegroup":216},{"id":"jvasp-113161","created_at":"2022-09-04T14:38:46.001415Z","updated_at":"2022-09-04T14:38:46.001439Z","structure_string":"Li2 Fe2 P2 H4 O10\n1.0\n4.793963 -0.168261 0.006898\n-0.186947 5.247021 -1.983614\n0.040376 -0.914026 8.851985\nLi Fe P H O\n2 2 2 4 10\ndirect\n0.062821 0.078700 0.370604 Li\n0.581344 0.399713 0.604591 Li\n0.512567 0.511174 0.013062 Fe\n0.011816 -0.013883 0.975367 Fe\n0.589787 0.160288 0.211930 P\n0.082978 0.348118 0.773187 P\n0.007736 0.557365 0.213485 H\n0.493499 0.805475 0.807998 H\n0.657889 -0.021717 0.732486 H\n0.253516 0.630890 0.340164 H\n0.210839 0.643658 0.880936 O\n0.270083 0.153314 0.202042 O\n0.760490 0.332397 0.778318 O\n0.710341 0.263303 0.388734 O\n0.197163 0.241328 0.596882 O\n0.668447 0.817437 0.750979 O\n0.172506 0.688572 0.262572 O\n0.723441 0.326129 0.121556 O\n0.202034 0.202585 0.872867 O\n0.701899 0.875147 0.102237 O\n","nsites":20,"nelements":5,"elements":["Li","Fe","P","H","O"],"chemical_system":"Fe-H-Li-O-P","density":2.731578570769716,"density_atomic":0.09358652443683248,"volume":213.70598085944818,"volume_molar":6.434837489947313,"formula_full":"Li2 Fe2 P2 H4 O10","formula_reduced":"LiFePH2O5","formula_anonymous":"ABCD2E5","energy_above_hull":2.73921585,"spacegroup":1},{"id":"jvasp-37036","created_at":"2022-09-04T14:35:53.857745Z","updated_at":"2022-09-04T14:35:53.857766Z","structure_string":"Ti3 In1\n1.0\n3.303988 3.303988 0.000000\n3.303988 0.000000 -3.303988\n-0.000000 3.303988 -3.303988\nTi In\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 In\n","nsites":4,"nelements":2,"elements":["Ti","In"],"chemical_system":"In-Ti","density":5.9487834445562875,"density_atomic":0.05545166766569916,"volume":72.13489094890265,"volume_molar":10.860161675038544,"formula_full":"Ti3 In1","formula_reduced":"Ti3In","formula_anonymous":"AB3","energy_above_hull":2.7392587425,"spacegroup":225},{"id":"jvasp-11753","created_at":"2022-09-04T14:36:53.157702Z","updated_at":"2022-09-04T14:36:53.157723Z","structure_string":"Ba2 W2 O8\n1.0\n-5.675744 -0.000160 -0.000039\n-0.000234 -5.675930 0.000125\n2.837488 2.837614 6.390545\nBa W O\n2 2 8\ndirect\n0.124994 0.375007 0.749999 Ba\n0.875004 0.624993 0.249999 Ba\n0.624984 0.875000 0.749998 W\n0.375013 0.125000 0.250000 W\n0.422594 0.814506 0.092231 O\n0.314503 0.669667 0.592229 O\n0.777751 0.922569 0.592240 O\n0.169667 0.277732 0.092221 O\n0.830330 0.722268 0.907777 O\n0.222247 0.077431 0.407758 O\n0.685494 0.330333 0.407769 O\n0.577404 0.185494 0.907767 O\n","nsites":12,"nelements":3,"elements":["Ba","W","O"],"chemical_system":"Ba-O-W","density":6.213335572694116,"density_atomic":0.058288193807234455,"volume":205.87359491160998,"volume_molar":10.331664727707793,"formula_full":"Ba2 W2 O8","formula_reduced":"BaWO4","formula_anonymous":"ABC4","energy_above_hull":2.7393249950000005,"spacegroup":88},{"id":"jvasp-48349","created_at":"2022-09-04T14:36:35.901113Z","updated_at":"2022-09-04T14:36:35.901151Z","structure_string":"Li4 Mn1 Fe3 O8\n1.0\n-5.653058 0.000641 -0.002633\n-0.000446 -5.747582 -0.070115\n2.824765 2.918547 4.067572\nLi Mn Fe O\n4 1 3 8\ndirect\n0.500004 0.999995 0.499999 Li\n0.999998 0.499998 0.999992 Li\n0.999999 0.999996 0.500002 Li\n0.499999 0.500000 0.999998 Li\n0.000002 0.000008 0.000009 Mn\n0.500000 0.500002 0.500003 Fe\n0.499999 0.000004 0.000002 Fe\n1.000000 0.500003 0.500003 Fe\n0.258950 0.741103 0.517883 O\n0.744287 0.758659 0.985600 O\n0.758711 0.241350 0.014408 O\n0.241294 0.255669 0.482613 O\n0.758709 0.744340 0.517401 O\n0.241287 0.758660 0.985598 O\n0.255713 0.241349 0.014407 O\n0.741048 0.258901 0.482121 O\n","nsites":16,"nelements":4,"elements":["Li","Mn","Fe","O"],"chemical_system":"Fe-Li-Mn-O","density":4.795832895813156,"density_atomic":0.12217332034186969,"volume":130.9614894252545,"volume_molar":4.929178271613339,"formula_full":"Li4 Mn1 Fe3 O8","formula_reduced":"Li4MnFe3O8","formula_anonymous":"AB3C4D8","energy_above_hull":2.739461983836206,"spacegroup":166},{"id":"jvasp-47749","created_at":"2022-09-04T14:38:14.708386Z","updated_at":"2022-09-04T14:38:14.708409Z","structure_string":"Li4 Cr2 Si4 O12\n1.0\n2.990309 4.948446 0.075178\n-2.990309 4.948446 -0.075178\n-0.339505 0.000000 8.912985\nLi Cr Si O\n4 2 4 12\ndirect\n0.605408 0.690503 0.884928 Li\n0.309498 0.394593 0.384928 Li\n0.690502 0.605409 0.615073 Li\n0.394592 0.309498 0.115073 Li\n0.238859 0.238860 0.750000 Cr\n0.761141 0.761141 0.250000 Cr\n0.127246 0.793216 0.639443 Si\n0.206785 0.872754 0.139443 Si\n0.793215 0.127247 0.860557 Si\n0.872754 0.206785 0.360557 Si\n0.762705 0.508443 0.409043 O\n0.491557 0.237296 0.909043 O\n0.000000 0.000000 0.000000 O\n0.131232 0.131232 0.250000 O\n-0.000000 0.000000 0.500000 O\n0.351306 0.846443 0.723559 O\n0.508443 0.762705 0.090957 O\n0.237295 0.491558 0.590958 O\n0.153558 0.648694 0.223559 O\n0.846442 0.351307 0.776442 O\n0.868768 0.868769 0.750000 O\n0.648694 0.153558 0.276442 O\n","nsites":22,"nelements":4,"elements":["Li","Cr","Si","O"],"chemical_system":"Cr-Li-O-Si","density":2.742663029154481,"density_atomic":0.08332377007081777,"volume":264.03029989283925,"volume_molar":7.2273983220895035,"formula_full":"Li4 Cr2 Si4 O12","formula_reduced":"Li2Cr(SiO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":2.7396295999999998,"spacegroup":15},{"id":"jvasp-43417","created_at":"2022-09-04T14:38:10.064595Z","updated_at":"2022-09-04T14:38:10.064620Z","structure_string":"Li2 Ti3 Ni1 O8\n1.0\n5.894603 -0.027216 -0.019245\n2.923731 5.118485 -0.019245\n2.923731 1.688016 4.832169\nLi Ti Ni O\n2 3 1 8\ndirect\n0.119505 0.119505 0.119505 Li\n0.499770 0.499770 0.499769 Li\n0.007482 0.498840 0.498840 Ti\n0.498840 0.007482 0.498840 Ti\n0.498841 0.498840 0.007481 Ti\n0.882766 0.882765 0.882764 Ni\n0.258997 0.258997 0.258996 O\n0.251601 0.251602 0.711946 O\n0.251602 0.711946 0.251601 O\n0.711946 0.251601 0.251601 O\n0.281447 0.747440 0.747439 O\n0.747440 0.281447 0.747439 O\n0.747441 0.747440 0.281445 O\n0.742322 0.742321 0.742320 O\n","nsites":14,"nelements":4,"elements":["Li","Ti","Ni","O"],"chemical_system":"Li-Ni-O-Ti","density":3.899390377392862,"density_atomic":0.09552138768727644,"volume":146.564034913668,"volume_molar":6.3044946328833085,"formula_full":"Li2 Ti3 Ni1 O8","formula_reduced":"Li2Ti3NiO8","formula_anonymous":"AB2C3D8","energy_above_hull":2.739715385714286,"spacegroup":160}]}