{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=468","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=updated_at&page=466","results":[{"id":"jvasp-44018","created_at":"2022-09-04T14:35:56.143840Z","updated_at":"2022-09-04T14:35:56.143859Z","structure_string":"Fe6 O7 F5\n1.0\n5.501199 -0.021358 0.016708\n1.725138 5.178556 0.013252\n2.272217 1.627760 6.634822\nFe O F\n6 7 5\ndirect\n0.315696 0.302408 0.160159 Fe\n0.659167 0.662356 0.321957 Fe\n0.387453 0.326758 0.689865 Fe\n0.663051 0.676578 0.833818 Fe\n0.009971 0.013605 0.492058 Fe\n0.955586 0.031374 0.993406 Fe\n0.672317 0.315402 0.003448 O\n0.960999 0.353591 0.335933 O\n0.672104 0.023481 0.667453 O\n0.219483 0.236383 0.965265 O\n0.758110 0.768073 0.031338 O\n0.356728 0.951947 0.336845 O\n0.583327 0.574104 0.637145 O\n0.896827 0.894282 0.300468 F\n0.062080 0.637124 0.655716 F\n0.127870 0.103406 0.694177 F\n0.424506 0.414541 0.373762 F\n0.274736 0.714588 0.007184 F\n","nsites":18,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.762727807367634,"density_atomic":0.09524310794441637,"volume":188.99005280786042,"volume_molar":6.322915001382048,"formula_full":"Fe6 O7 F5","formula_reduced":"Fe6O7F5","formula_anonymous":"A5B6C7","energy_above_hull":2.470694939583333,"spacegroup":1},{"id":"jvasp-66728","created_at":"2022-09-04T14:35:56.148985Z","updated_at":"2022-09-04T14:35:56.149013Z","structure_string":"Ta1 Be2 V1\n1.0\n2.644434 0.000000 -0.000000\n0.000000 2.644434 0.000000\n0.000000 0.000000 7.015402\nTa Be V\n1 2 1\ndirect\n0.000000 0.000000 0.464762 Ta\n0.000000 0.000000 0.038275 Be\n0.499999 0.499999 0.197754 Be\n0.499999 0.499999 0.799207 V\n","nsites":4,"nelements":3,"elements":["Ta","Be","V"],"chemical_system":"Be-Ta-V","density":8.459042585933787,"density_atomic":0.08153460365898399,"volume":49.05892492873184,"volume_molar":7.385993786377403,"formula_full":"Ta1 Be2 V1","formula_reduced":"TaBe2V","formula_anonymous":"ABC2","energy_above_hull":3.6980039,"spacegroup":99},{"id":"jvasp-63256","created_at":"2022-09-04T14:35:56.151020Z","updated_at":"2022-09-04T14:35:56.151036Z","structure_string":"K6 Nd2 As4 S16\n1.0\n9.367124 5.216743 -0.050177\n-9.367124 5.216743 -0.050177\n0.000000 3.941889 7.847411\nK Nd As S\n6 2 4 16\ndirect\n0.263587 0.736413 0.750000 K\n0.736413 0.263587 0.250000 K\n0.003279 0.996721 0.750000 K\n0.996721 0.003279 0.250000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.243045 0.756954 0.250000 Nd\n0.756955 0.243045 0.750000 Nd\n0.339821 0.098875 0.893093 As\n0.660179 0.901125 0.106906 As\n0.901125 0.660179 0.606906 As\n0.098875 0.339821 0.393094 As\n0.529805 0.871465 0.936824 S\n0.490894 0.140680 0.645209 S\n0.859320 0.509106 0.854790 S\n0.871465 0.529805 0.436824 S\n0.470194 0.128535 0.063175 S\n0.128535 0.470194 0.563175 S\n0.153471 0.871484 0.486879 S\n0.751562 0.737893 0.629074 S\n0.846529 0.128516 0.513121 S\n0.871484 0.153471 0.986879 S\n0.248438 0.262107 0.370925 S\n0.737892 0.751562 0.129074 S\n0.140680 0.490894 0.145209 S\n0.262107 0.248438 0.870925 S\n0.128516 0.846529 0.013121 S\n0.509106 0.859320 0.354790 S\n","nsites":28,"nelements":4,"elements":["K","Nd","As","S"],"chemical_system":"As-K-Nd-S","density":2.878294637342492,"density_atomic":0.03633311874806969,"volume":770.6467532872496,"volume_molar":16.574797230474317,"formula_full":"K6 Nd2 As4 S16","formula_reduced":"K3Nd(AsS4)2","formula_anonymous":"AB2C3D8","energy_above_hull":1.5751577857142858,"spacegroup":15},{"id":"jvasp-98448","created_at":"2022-09-04T14:35:56.160410Z","updated_at":"2022-09-04T14:35:56.160435Z","structure_string":"He8 Si8 O16\n1.0\n7.641598 0.000000 -4.983695\n0.000000 5.099516 0.000000\n-0.686376 0.000000 10.428008\nHe Si O\n8 8 16\ndirect\n0.609638 0.749663 0.070928 He\n0.390362 0.249662 0.429072 He\n0.390362 0.250338 0.929072 He\n0.609637 0.750339 0.570928 He\n0.109434 0.249535 0.070478 He\n0.890566 0.749535 0.429522 He\n0.890565 0.750466 0.929522 He\n0.109434 0.250466 0.570478 He\n0.125348 0.750803 0.812224 Si\n0.125348 0.749198 0.312224 Si\n0.874652 0.249198 0.187776 Si\n0.874652 0.250803 0.687776 Si\n0.374657 0.750152 0.687556 Si\n0.374657 0.749849 0.187556 Si\n0.625343 0.249849 0.312444 Si\n0.625343 0.250152 0.812444 Si\n0.959910 0.539275 0.210227 O\n0.040090 0.039275 0.289772 O\n0.460388 0.039772 0.709708 O\n0.539612 0.539772 0.790292 O\n0.539612 0.960229 0.290292 O\n0.460388 0.460229 0.209708 O\n0.749681 0.169630 0.000026 O\n0.250319 0.830371 -0.000027 O\n0.749681 0.330371 0.500026 O\n0.750373 0.251461 0.750484 O\n0.249627 0.751461 0.749516 O\n0.249627 0.748540 0.249516 O\n0.750373 0.248540 0.250484 O\n0.959909 0.960726 0.710227 O\n0.250319 0.669630 0.499973 O\n0.040090 0.460726 0.789772 O\n","nsites":32,"nelements":3,"elements":["He","Si","O"],"chemical_system":"He-O-Si","density":2.189014723627119,"density_atomic":0.08227924511595593,"volume":388.9194651081507,"volume_molar":7.319149259953725,"formula_full":"He8 Si8 O16","formula_reduced":"HeSiO2","formula_anonymous":"ABC2","energy_above_hull":1.3256472375,"spacegroup":167},{"id":"jvasp-69511","created_at":"2022-09-04T14:35:56.163563Z","updated_at":"2022-09-04T14:35:56.163578Z","structure_string":"Be1 Tc1 P1\n1.0\n1.436278 -2.487705 0.000000\n1.436278 2.487705 -0.000000\n0.000000 -0.000000 5.431357\nBe Tc P\n1 1 1\ndirect\n0.000000 0.000000 0.996264 Be\n0.666668 0.333333 0.342856 Tc\n0.333333 0.666668 0.660881 P\n","nsites":3,"nelements":3,"elements":["Be","Tc","P"],"chemical_system":"Be-P-Tc","density":5.903481598687823,"density_atomic":0.0772939535935351,"volume":38.812867766812246,"volume_molar":7.791218433033674,"formula_full":"Be1 Tc1 P1","formula_reduced":"BeTcP","formula_anonymous":"ABC","energy_above_hull":3.058104366666667,"spacegroup":156},{"id":"jvasp-98134","created_at":"2022-09-04T14:35:56.164943Z","updated_at":"2022-09-04T14:35:56.164958Z","structure_string":"Ba2 Y1 Cu4 O6\n1.0\n3.937911 0.000000 0.000000\n0.000000 1.892491 13.488087\n0.000000 -1.892491 13.488087\nBa Y Cu O\n2 1 4 6\ndirect\n0.500000 0.642467 0.642467 Ba\n0.500000 0.357533 0.357533 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.210897 0.210897 Cu\n0.000000 0.789103 0.789103 Cu\n0.000000 0.060207 0.060207 Cu\n0.000000 0.939793 0.939793 Cu\n0.000000 0.138468 0.138468 O\n0.000000 0.861532 0.861532 O\n0.500000 0.052090 0.052090 O\n0.500000 0.947910 0.947910 O\n0.000000 0.716919 0.716919 O\n0.000000 0.283082 0.283082 O\n","nsites":13,"nelements":4,"elements":["Ba","Y","Cu","O"],"chemical_system":"Ba-Cu-O-Y","density":5.895344825570887,"density_atomic":0.064664106157349,"volume":201.03888807133177,"volume_molar":9.312957555380345,"formula_full":"Ba2 Y1 Cu4 O6","formula_reduced":"Ba2Y(Cu2O3)2","formula_anonymous":"AB2C4D6","energy_above_hull":1.3044800146153843,"spacegroup":65},{"id":"jvasp-88004","created_at":"2022-09-04T14:35:56.166789Z","updated_at":"2022-09-04T14:35:56.166821Z","structure_string":"Ba2 Mn1 Re1 O6\n1.0\n5.009369 0.000000 2.892160\n1.669789 4.722877 2.892160\n-0.000000 -0.000000 5.784320\nBa Mn Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Re\n0.260338 0.739663 0.739660 O\n0.260338 0.739663 0.260337 O\n0.739663 0.260338 0.739661 O\n0.260339 0.260338 0.739662 O\n0.739663 0.260338 0.260337 O\n0.739662 0.739663 0.260338 O\n","nsites":10,"nelements":4,"elements":["Ba","Mn","Re","O"],"chemical_system":"Ba-Mn-O-Re","density":7.423579548488399,"density_atomic":0.07307318379839157,"volume":136.8491077053647,"volume_molar":8.24124589482107,"formula_full":"Ba2 Mn1 Re1 O6","formula_reduced":"Ba2MnReO6","formula_anonymous":"ABC2D6","energy_above_hull":2.773985818137931,"spacegroup":225},{"id":"jvasp-88123","created_at":"2022-09-04T14:35:56.172544Z","updated_at":"2022-09-04T14:35:56.172564Z","structure_string":"Ba3 Ta6 Si4 O23\n1.0\n9.155845 0.000000 0.000000\n-4.577923 7.929196 -0.000000\n0.000000 -0.000000 7.577091\nBa Ta Si O\n3 6 4 23\ndirect\n0.000000 0.590029 0.500000 Ba\n0.409972 0.409972 0.500000 Ba\n0.590029 0.000000 0.500000 Ba\n0.237418 0.000000 0.747488 Ta\n0.000000 0.237418 0.252512 Ta\n0.762583 0.762582 0.252512 Ta\n0.762583 0.762582 0.747488 Ta\n0.237418 0.000000 0.252512 Ta\n0.000000 0.237418 0.747488 Ta\n0.333334 0.666667 0.212408 Si\n0.666668 0.333333 0.212408 Si\n0.666668 0.333333 0.787592 Si\n0.333334 0.666667 0.787592 Si\n0.701259 0.514975 0.290618 O\n0.813717 0.298742 0.709382 O\n0.000000 0.826826 0.269502 O\n0.000000 0.826826 0.730498 O\n0.514975 0.701259 0.290618 O\n0.666668 0.333333 0.000000 O\n0.000000 0.279236 0.000000 O\n0.701259 0.514975 0.709382 O\n0.173175 0.173175 0.269502 O\n0.485026 0.186284 0.290618 O\n0.826826 0.000000 0.730498 O\n0.279236 0.000000 0.000000 O\n0.813717 0.298742 0.290618 O\n0.514975 0.701259 0.709382 O\n0.826826 0.000000 0.269502 O\n0.720765 0.720765 0.000000 O\n0.333334 0.666667 0.000000 O\n0.186284 0.485026 0.290618 O\n0.298742 0.813716 0.709382 O\n0.186284 0.485026 0.709382 O\n0.173175 0.173175 0.730498 O\n0.485026 0.186284 0.709382 O\n0.298742 0.813716 0.290618 O\n","nsites":36,"nelements":4,"elements":["Ba","Ta","Si","O"],"chemical_system":"Ba-O-Si-Ta","density":5.97096497526058,"density_atomic":0.06544438827277974,"volume":550.0853617875969,"volume_molar":9.20192077416787,"formula_full":"Ba3 Ta6 Si4 O23","formula_reduced":"Ba3Ta6Si4O23","formula_anonymous":"A3B4C6D23","energy_above_hull":3.785331889166666,"spacegroup":189},{"id":"jvasp-86690","created_at":"2022-09-04T14:35:56.174260Z","updated_at":"2022-09-04T14:35:56.174283Z","structure_string":"U12 Mn2\n1.0\n5.021646 -0.000000 1.808202\n2.510822 7.184843 0.904101\n0.076688 -0.000000 7.664054\nU Mn\n12 2\ndirect\n0.098650 0.683657 0.119043 U\n0.901351 0.316342 0.880956 U\n0.093667 0.312665 0.500000 U\n0.593668 0.500000 0.312665 U\n0.598651 0.119043 0.683657 U\n0.282307 0.316342 0.119043 U\n0.782308 0.119043 0.316342 U\n0.906334 0.687334 0.499999 U\n0.401350 0.880957 0.316342 U\n0.217694 0.880957 0.683657 U\n0.406333 0.500000 0.687334 U\n0.717694 0.683657 0.880956 U\n0.250000 0.000000 -0.000000 Mn\n0.750001 0.000000 -0.000000 Mn\n","nsites":14,"nelements":2,"elements":["U","Mn"],"chemical_system":"Mn-U","density":17.877161883984506,"density_atomic":0.05081286838531148,"volume":275.52075773087023,"volume_molar":11.851605609693992,"formula_full":"U12 Mn2","formula_reduced":"U6Mn","formula_anonymous":"AB6","energy_above_hull":6.531036177339901,"spacegroup":140},{"id":"jvasp-93729","created_at":"2022-09-04T14:35:56.177467Z","updated_at":"2022-09-04T14:35:56.177489Z","structure_string":"Tm1 Co2 B2 C1\n1.0\n3.486647 0.000000 -0.000000\n0.000000 3.486647 -0.000000\n-1.743324 -1.743324 5.203122\nTm Co B C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750001 0.250001 0.500000 Co\n0.250001 0.750001 0.500000 Co\n0.643722 0.643722 0.287442 B\n0.356280 0.356280 0.712558 B\n0.500000 0.500000 0.000000 C\n","nsites":6,"nelements":4,"elements":["Tm","Co","B","C"],"chemical_system":"B-C-Co-Tm","density":8.412145396169398,"density_atomic":0.09485741404559037,"volume":63.25283121376554,"volume_molar":6.348624217296963,"formula_full":"Tm1 Co2 B2 C1","formula_reduced":"TmCo2B2C","formula_anonymous":"ABC2D2","energy_above_hull":4.149436869444445,"spacegroup":139},{"id":"jvasp-70963","created_at":"2022-09-04T14:35:56.180407Z","updated_at":"2022-09-04T14:35:56.180429Z","structure_string":"Be1 Si2 Sb1\n1.0\n3.357015 0.000000 0.000000\n0.000000 3.357015 0.000000\n-0.000000 0.000000 6.759560\nBe Si Sb\n1 2 1\ndirect\n0.000000 0.000000 0.453526 Be\n0.000000 0.000000 0.118119 Si\n0.499999 0.499999 0.262405 Si\n0.499999 0.499999 0.665950 Sb\n","nsites":4,"nelements":3,"elements":["Be","Si","Sb"],"chemical_system":"Be-Sb-Si","density":4.075057463134946,"density_atomic":0.05250915148447158,"volume":76.1771974392485,"volume_molar":11.468745142036653,"formula_full":"Be1 Si2 Sb1","formula_reduced":"BeSi2Sb","formula_anonymous":"ABC2","energy_above_hull":2.54846985,"spacegroup":99},{"id":"jvasp-85646","created_at":"2022-09-04T14:35:56.181220Z","updated_at":"2022-09-04T14:35:56.181240Z","structure_string":"H8 S2 N4 O4\n1.0\n4.473350 8.366970 -0.000315\n0.000114 8.366810 2.249906\n4.473285 -0.000125 2.250698\nH S N O\n8 2 4 4\ndirect\n0.686200 0.707134 0.098262 H\n0.510196 0.099500 0.705875 H\n0.151930 0.741421 0.564048 H\n0.544352 0.565373 0.740070 H\n0.407946 0.879865 0.049442 H\n0.664531 0.050727 0.878576 H\n0.200777 0.587044 0.842274 H\n0.371644 0.843615 0.585690 H\n0.989586 0.011978 0.010602 S\n0.239629 0.261926 0.260629 S\n0.436158 0.919413 0.192307 N\n0.453918 0.193578 0.918117 N\n0.057906 0.797680 0.814069 N\n0.332094 0.815417 0.796316 N\n0.919793 0.515676 0.331635 O\n0.234809 0.332869 0.514293 O\n0.918615 0.016850 0.330403 O\n0.735884 0.331802 0.015459 O\n","nsites":18,"nelements":4,"elements":["H","S","N","O"],"chemical_system":"H-N-O-S","density":1.8947428731327125,"density_atomic":0.10685130149113767,"volume":168.45840667175153,"volume_molar":5.636001317681172,"formula_full":"H8 S2 N4 O4","formula_reduced":"H4S(NO)2","formula_anonymous":"AB2C2D4","energy_above_hull":3.531737055555556,"spacegroup":43}]}