{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=583","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=581","results":[{"id":"jvasp-98645","created_at":"2022-09-04T14:35:59.933448Z","updated_at":"2022-09-04T14:35:59.933467Z","structure_string":"Mn4 H24 O12 F12\n1.0\n8.358652 0.000000 -1.462411\n0.000000 9.347799 0.000000\n0.043594 0.000000 6.361139\nMn H O F\n4 24 12 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.328798 0.075917 0.544338 H\n0.171202 0.575917 0.455662 H\n0.828798 0.424083 0.544338 H\n0.262498 0.046063 0.296030 H\n0.237501 0.546063 0.703970 H\n0.737501 0.953938 0.703970 H\n0.762498 0.453937 0.296030 H\n0.015027 0.220205 0.759673 H\n0.484972 0.720205 0.240327 H\n0.984972 0.779795 0.240327 H\n0.515027 0.279795 0.759673 H\n0.671201 0.924083 0.455662 H\n0.368959 0.595831 0.124386 H\n0.038434 0.255549 0.242498 H\n0.461565 0.755549 0.757502 H\n0.538434 0.244451 0.242498 H\n0.214064 0.318181 0.240823 H\n0.961565 0.744451 0.757502 H\n0.785935 0.681819 0.759177 H\n0.714064 0.181819 0.240823 H\n0.631041 0.404169 0.875615 H\n0.868958 0.904169 0.124386 H\n0.285935 0.818181 0.759177 H\n0.131041 0.095831 0.875614 H\n0.467138 0.614565 0.230647 O\n0.231245 0.063100 0.436605 O\n0.268754 0.563100 0.563395 O\n0.768754 0.936900 0.563395 O\n0.731245 0.436900 0.436605 O\n0.032862 0.114565 0.769353 O\n0.967138 0.885435 0.230647 O\n0.603914 0.185354 0.161156 O\n0.896085 0.685354 0.838844 O\n0.396086 0.814646 0.838844 O\n0.103914 0.314646 0.161156 O\n0.532862 0.385435 0.769353 O\n0.091010 0.843001 0.650853 F\n0.408990 0.343001 0.349147 F\n0.520781 0.893835 0.257909 F\n0.979218 0.393835 0.742091 F\n0.479218 0.106165 0.742091 F\n0.295820 0.056459 0.037721 F\n0.204180 0.556459 0.962279 F\n0.704179 0.943541 0.962279 F\n0.795820 0.443541 0.037721 F\n0.591010 0.656999 0.650853 F\n0.020781 0.606165 0.257909 F\n0.908990 0.156999 0.349147 F\n","nsites":52,"nelements":4,"elements":["Mn","H","O","F"],"chemical_system":"F-H-Mn-O","density":2.2154480481035104,"density_atomic":0.10449666590592653,"volume":497.6235322839216,"volume_molar":5.762997994042654,"formula_full":"Mn4 H24 O12 F12","formula_reduced":"MnH6(OF)3","formula_anonymous":"AB3C3D6","energy_above_hull":2.386405276067639,"spacegroup":14},{"id":"jvasp-74759","created_at":"2022-09-04T14:35:59.936896Z","updated_at":"2022-09-04T14:35:59.936911Z","structure_string":"Be2 Tc1 Ge1\n1.0\n-1.712111 1.712111 3.916757\n1.712111 -1.712111 3.916757\n1.712111 1.712111 -3.916757\nBe Tc Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Tc\n0.500000 0.500000 0.000000 Ge\n","nsites":4,"nelements":3,"elements":["Be","Tc","Ge"],"chemical_system":"Be-Ge-Tc","density":6.821635635430588,"density_atomic":0.08709827156164311,"volume":45.925136380795244,"volume_molar":6.914190892683648,"formula_full":"Be2 Tc1 Ge1","formula_reduced":"Be2TcGe","formula_anonymous":"ABC2","energy_above_hull":2.4510799125,"spacegroup":119},{"id":"jvasp-105863","created_at":"2022-09-04T14:35:59.937664Z","updated_at":"2022-09-04T14:35:59.937691Z","structure_string":"Sr1 Ce1 Hg2\n1.0\n4.752680 0.000000 2.743961\n1.584227 4.480869 2.743961\n0.000000 0.000000 5.487921\nSr Ce Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 Ce\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.749999 Hg\n","nsites":4,"nelements":3,"elements":["Sr","Ce","Hg"],"chemical_system":"Ce-Hg-Sr","density":8.935792362839145,"density_atomic":0.03422561959291658,"volume":116.87151460153113,"volume_molar":17.595417794120397,"formula_full":"Sr1 Ce1 Hg2","formula_reduced":"SrCeHg2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-68915","created_at":"2022-09-04T14:35:59.940423Z","updated_at":"2022-09-04T14:35:59.940451Z","structure_string":"Ta1 Be1 Sb1\n1.0\n1.546747 -2.679043 0.000000\n1.546747 2.679043 -0.000000\n0.000000 0.000000 6.565356\nTa Be Sb\n1 1 1\ndirect\n0.666668 0.333334 0.307974 Ta\n0.000000 0.000000 0.015479 Be\n0.333334 0.666668 0.676547 Sb\n","nsites":3,"nelements":3,"elements":["Ta","Be","Sb"],"chemical_system":"Be-Sb-Ta","density":9.513199597528024,"density_atomic":0.05513584211408945,"volume":54.4110670114056,"volume_molar":10.922370148149234,"formula_full":"Ta1 Be1 Sb1","formula_reduced":"TaBeSb","formula_anonymous":"ABC","energy_above_hull":3.1868738,"spacegroup":156},{"id":"jvasp-71824","created_at":"2022-09-04T14:35:59.942817Z","updated_at":"2022-09-04T14:35:59.942843Z","structure_string":"Ti1 Be1 Re2\n1.0\n-1.854551 1.854551 4.105092\n1.854551 -1.854551 4.105092\n1.854551 1.854551 -4.105092\nTi Be Re\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n","nsites":4,"nelements":3,"elements":["Ti","Be","Re"],"chemical_system":"Be-Re-Ti","density":12.622420406558538,"density_atomic":0.07082711362181453,"volume":56.47554722275189,"volume_molar":8.502592371835973,"formula_full":"Ti1 Be1 Re2","formula_reduced":"TiBeRe2","formula_anonymous":"ABC2","energy_above_hull":4.888407608333333,"spacegroup":139},{"id":"jvasp-70927","created_at":"2022-09-04T14:35:59.948926Z","updated_at":"2022-09-04T14:35:59.948950Z","structure_string":"Be1 Nb2 Ir1\n1.0\n2.876269 0.000000 0.000000\n0.000000 2.876269 -0.000000\n-0.000000 0.000000 7.237825\nBe Nb Ir\n1 2 1\ndirect\n0.000000 0.000000 0.543419 Be\n0.000000 0.000000 0.966330 Nb\n0.500000 0.500000 0.289272 Nb\n0.500000 0.500000 0.700980 Ir\n","nsites":4,"nelements":3,"elements":["Be","Nb","Ir"],"chemical_system":"Be-Ir-Nb","density":10.73346756380176,"density_atomic":0.06680253018619481,"volume":59.87797152070487,"volume_molar":9.0148393230239,"formula_full":"Be1 Nb2 Ir1","formula_reduced":"BeNb2Ir","formula_anonymous":"ABC2","energy_above_hull":4.283619,"spacegroup":99},{"id":"jvasp-90175","created_at":"2022-09-04T14:35:59.949580Z","updated_at":"2022-09-04T14:35:59.949611Z","structure_string":"Sc3 Ge3 Os3\n1.0\n0.000000 0.000000 -3.476351\n-3.496398 -6.055939 0.000000\n-3.496581 6.056045 0.000000\nSc Ge Os\n3 3 3\ndirect\n0.500000 0.597846 0.000000 Sc\n0.500000 0.402139 0.402151 Sc\n0.500000 0.999988 0.597849 Sc\n0.000000 0.333320 0.666666 Ge\n0.000000 0.666654 0.333334 Ge\n0.500000 0.999993 0.000000 Ge\n0.000000 0.256290 0.000000 Os\n0.000000 0.743684 0.743695 Os\n0.000000 0.999988 0.256305 Os\n","nsites":9,"nelements":3,"elements":["Sc","Ge","Os"],"chemical_system":"Ge-Os-Sc","density":10.416082006637852,"density_atomic":0.06113238969306153,"volume":147.2214654978798,"volume_molar":9.850982090241285,"formula_full":"Sc3 Ge3 Os3","formula_reduced":"ScGeOs","formula_anonymous":"ABC","energy_above_hull":2.553002066666666,"spacegroup":189},{"id":"jvasp-75778","created_at":"2022-09-04T14:35:59.949640Z","updated_at":"2022-09-04T14:35:59.949667Z","structure_string":"Ti1 As1 P2\n1.0\n-0.000000 3.194589 3.194589\n3.194589 -0.000000 3.194589\n3.194589 3.194589 0.000000\nTi As P\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n","nsites":4,"nelements":3,"elements":["Ti","As","P"],"chemical_system":"As-P-Ti","density":4.70463519740801,"density_atomic":0.06134582620783436,"volume":65.20410999842672,"volume_molar":9.816708213526226,"formula_full":"Ti1 As1 P2","formula_reduced":"TiAsP2","formula_anonymous":"ABC2","energy_above_hull":3.079030270833333,"spacegroup":216},{"id":"jvasp-91486","created_at":"2022-09-04T14:35:59.953971Z","updated_at":"2022-09-04T14:35:59.953999Z","structure_string":"Li12 Zr2 Be2 F24\n1.0\n6.251952 -0.000000 -2.080278\n-0.692193 6.213515 -2.080278\n-0.022389 -0.025022 10.367483\nLi Zr Be F\n12 2 2 24\ndirect\n0.853299 0.103299 0.206597 Li\n0.733665 0.000000 0.500000 Li\n0.396701 0.646700 0.293402 Li\n0.266335 0.500000 0.500000 Li\n0.500000 0.766335 -0.000000 Li\n0.733665 0.500000 0.500000 Li\n0.000000 0.766335 -0.000000 Li\n0.000000 0.233665 -0.000000 Li\n0.266335 0.000000 0.500000 Li\n0.500000 0.233665 -0.000000 Li\n0.603299 0.353299 0.706597 Li\n0.146701 0.896700 0.793402 Li\n0.875000 0.625000 0.250000 Zr\n0.125000 0.375000 0.750000 Zr\n0.375000 0.125000 0.250000 Be\n0.625000 0.875000 0.749999 Be\n0.425735 0.981882 0.351471 F\n0.922246 0.385104 0.344492 F\n0.922246 0.959386 0.344492 F\n0.210617 0.231612 0.921236 F\n0.789382 0.310376 0.078764 F\n0.518117 0.074265 0.148529 F\n0.869588 0.925735 0.851470 F\n0.574265 0.630411 0.648529 F\n0.885104 0.422246 0.844492 F\n0.481883 0.925735 0.851470 F\n0.114896 0.577753 0.155507 F\n0.540613 0.577753 0.155507 F\n0.459387 0.422246 0.844492 F\n0.731612 0.710617 0.421235 F\n0.810376 0.289383 0.578764 F\n0.189624 0.710617 0.421236 F\n0.210618 0.689623 0.921235 F\n0.789383 0.768387 0.078764 F\n0.077754 0.614895 0.655507 F\n0.574265 0.018118 0.648529 F\n0.425735 0.369588 0.351471 F\n0.130412 0.074265 0.148529 F\n0.268388 0.289383 0.578764 F\n0.077754 0.040613 0.655507 F\n","nsites":40,"nelements":4,"elements":["Li","Zr","Be","F"],"chemical_system":"Be-F-Li-Zr","density":3.054893714101297,"density_atomic":0.09948007205272266,"volume":402.0905813055776,"volume_molar":6.053615197231032,"formula_full":"Li12 Zr2 Be2 F24","formula_reduced":"Li6ZrBeF12","formula_anonymous":"ABC6D12","energy_above_hull":0.3698571994999996,"spacegroup":141},{"id":"jvasp-16096","created_at":"2022-09-04T14:35:59.962957Z","updated_at":"2022-09-04T14:35:59.962984Z","structure_string":"Tl1 Cu2 S2\n1.0\n3.661207 0.000000 -0.994728\n-0.270262 3.651219 -0.994728\n0.009250 0.009961 7.269154\nTl Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.499999 Cu\n0.750001 0.250000 0.499999 Cu\n0.645793 0.645792 0.291583 S\n0.354208 0.354208 0.708416 S\n","nsites":5,"nelements":3,"elements":["Tl","Cu","S"],"chemical_system":"Cu-S-Tl","density":6.755243896754536,"density_atomic":0.05141618379284253,"volume":97.24564584849708,"volume_molar":11.71253935193518,"formula_full":"Tl1 Cu2 S2","formula_reduced":"Tl(CuS)2","formula_anonymous":"AB2C2","energy_above_hull":0.4284146999999997,"spacegroup":139},{"id":"jvasp-105719","created_at":"2022-09-04T14:35:59.976858Z","updated_at":"2022-09-04T14:35:59.976885Z","structure_string":"Ba2 Tl1 Hg1\n1.0\n5.153573 0.000000 2.975417\n1.717857 4.858836 2.975417\n0.000000 0.000000 5.950834\nBa Tl Hg\n2 1 1\ndirect\n0.750000 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Hg"],"chemical_system":"Ba-Hg-Tl","density":7.57358327019736,"density_atomic":0.02684364476028033,"volume":149.01106149037815,"volume_molar":22.43413967730182,"formula_full":"Ba2 Tl1 Hg1","formula_reduced":"Ba2TlHg","formula_anonymous":"ABC2","energy_above_hull":null,"spacegroup":225},{"id":"jvasp-14815","created_at":"2022-09-04T14:35:59.980340Z","updated_at":"2022-09-04T14:35:59.980368Z","structure_string":"Ti3\n1.0\n2.273355 -3.937568 0.000000\n2.273355 3.937568 0.000000\n0.000000 -0.000000 2.820147\nTi\n3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333334 0.666668 0.500000 Ti\n0.666668 0.333334 0.500000 Ti\n","nsites":3,"nelements":1,"elements":["Ti"],"chemical_system":"Ti","density":4.72290808396339,"density_atomic":0.059418842392459086,"volume":50.48903477764039,"volume_molar":10.135069142249524,"formula_full":"Ti3","formula_reduced":"Ti","formula_anonymous":"A","energy_above_hull":0.0,"spacegroup":191}]}