{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3540","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume&page=3538","results":[{"id":"jvasp-5299","created_at":"2022-09-04T14:37:02.791051Z","updated_at":"2022-09-04T14:37:02.791064Z","structure_string":"K4 B4 H16\n1.0\n3.391566 0.000000 0.000000\n0.000000 7.971067 0.000000\n0.000000 0.000000 8.653797\nK B H\n4 4 16\ndirect\n0.750001 0.213381 0.288052 K\n0.250000 0.786620 0.711948 K\n0.250000 0.286619 0.788053 K\n0.750001 0.713381 0.211948 K\n0.750001 0.974979 0.956980 B\n0.250000 0.025021 0.043020 B\n0.250000 0.525021 0.456980 B\n0.750001 0.474979 0.543020 B\n0.250000 0.183123 0.069691 H\n0.750001 0.816877 0.930309 H\n0.750001 0.028463 0.815215 H\n0.250000 0.971537 0.184785 H\n0.250000 0.471537 0.315215 H\n0.750001 0.528464 0.684786 H\n0.861262 0.898212 0.453324 H\n0.138739 0.101788 0.546677 H\n0.138739 0.601789 -0.046676 H\n0.638739 0.398212 0.046676 H\n0.250000 0.683123 0.430309 H\n0.638739 0.898212 0.453324 H\n0.861262 0.398212 0.046676 H\n0.361262 0.601789 -0.046676 H\n0.361262 0.101788 0.546677 H\n0.750001 0.316877 0.569691 H\n","nsites":24,"nelements":3,"elements":["K","B","H"],"chemical_system":"B-H-K","density":1.5314581365642752,"density_atomic":0.10258593141800908,"volume":233.95020806709536,"volume_molar":5.870337849213899,"formula_full":"K4 B4 H16","formula_reduced":"KBH4","formula_anonymous":"ABC4","energy_above_hull":2.534495097222223,"spacegroup":62},{"id":"jvasp-85208","created_at":"2022-09-04T14:37:15.096600Z","updated_at":"2022-09-04T14:37:15.096621Z","structure_string":"Eu6 Al2 O10\n1.0\n6.321124 -0.000000 -0.000000\n-3.160562 3.160562 5.855113\n0.000000 -6.321124 -0.000000\nEu Al O\n6 2 10\ndirect\n0.250000 0.500000 0.250000 Eu\n0.750000 0.500000 0.750000 Eu\n0.170024 0.000000 0.329976 Eu\n0.829975 0.000000 0.670024 Eu\n0.329976 0.000000 0.829975 Eu\n0.670024 0.000000 0.170024 Eu\n0.750000 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.497660 0.684990 0.687329 O\n0.187329 0.684990 -0.002339 O\n0.312671 0.315009 0.812670 O\n0.002339 0.315009 0.502339 O\n0.500000 0.000000 0.500000 O\n0.812670 0.315009 0.002339 O\n0.000000 0.000000 0.000000 O\n-0.002339 0.684990 0.497660 O\n0.502339 0.315009 0.312671 O\n0.687329 0.684990 0.187329 O\n","nsites":18,"nelements":3,"elements":["Eu","Al","O"],"chemical_system":"Al-Eu-O","density":7.990311490988927,"density_atomic":0.07693936617497119,"volume":233.95045858664093,"volume_molar":7.827125513751679,"formula_full":"Eu6 Al2 O10","formula_reduced":"Eu3AlO5","formula_anonymous":"AB3C5","energy_above_hull":2.0581778111111118,"spacegroup":140},{"id":"jvasp-92848","created_at":"2022-09-04T14:36:20.975538Z","updated_at":"2022-09-04T14:36:20.975553Z","structure_string":"Ba1 Mg6 Bi1\n1.0\n7.747811 -0.625787 0.000000\n-4.415853 6.396909 0.000000\n0.000000 0.000000 4.999104\nBa Mg Bi\n1 6 1\ndirect\n0.204508 0.295492 0.250000 Ba\n0.158555 0.782370 0.250000 Mg\n0.717630 0.341445 0.250000 Mg\n0.627167 0.872833 0.250000 Mg\n0.306561 0.674484 0.749999 Mg\n0.825516 0.193439 0.749999 Mg\n0.778676 0.721323 0.749999 Mg\n0.381387 0.118613 0.749999 Bi\n","nsites":8,"nelements":3,"elements":["Ba","Mg","Bi"],"chemical_system":"Ba-Bi-Mg","density":3.4930909374677688,"density_atomic":0.03419514195861695,"volume":233.95136097641065,"volume_molar":17.61110033491895,"formula_full":"Ba1 Mg6 Bi1","formula_reduced":"BaMg6Bi","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-40150","created_at":"2022-09-04T14:38:17.919862Z","updated_at":"2022-09-04T14:38:17.919889Z","structure_string":"Ca2 Sn2 S6\n1.0\n-3.547179 6.143943 -0.000009\n-7.094404 -0.000016 -0.000002\n-3.547192 2.047982 5.367534\nCa Sn S\n2 2 6\ndirect\n0.749999 0.750001 0.749997 Ca\n0.250001 0.250001 0.249998 Ca\n0.500000 0.500000 0.499999 Sn\n0.000000 -0.000000 -0.000000 Sn\n0.749999 0.361721 0.750000 S\n0.361722 0.138278 0.750003 S\n0.138278 0.749999 0.750002 S\n0.638277 0.861722 0.250004 S\n0.861721 0.249999 0.250001 S\n0.250000 0.638278 0.250000 S\n","nsites":10,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.619524820970413,"density_atomic":0.04274262982969513,"volume":233.95846347883287,"volume_molar":14.089307990628509,"formula_full":"Ca2 Sn2 S6","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy_above_hull":1.002474424,"spacegroup":167},{"id":"jvasp-16250","created_at":"2022-09-04T14:38:32.893462Z","updated_at":"2022-09-04T14:38:32.893482Z","structure_string":"Dy6 Fe1 Te2\n1.0\n4.143105 -7.176068 -0.000000\n4.143105 7.176068 -0.000000\n0.000000 0.000000 3.934761\nDy Fe Te\n6 1 2\ndirect\n-0.000000 0.396399 0.500000 Dy\n0.603600 0.603600 0.500000 Dy\n0.396399 -0.000000 0.500000 Dy\n0.765927 -0.000001 0.000000 Dy\n0.234073 0.234073 0.000000 Dy\n-0.000001 0.765927 0.000000 Dy\n0.000000 0.000000 0.500000 Fe\n0.333332 0.666666 0.000000 Te\n0.666666 0.333332 0.000000 Te\n","nsites":9,"nelements":3,"elements":["Dy","Fe","Te"],"chemical_system":"Dy-Fe-Te","density":9.12734409769877,"density_atomic":0.038466411242423934,"volume":233.97035775653688,"volume_molar":15.655582534193586,"formula_full":"Dy6 Fe1 Te2","formula_reduced":"Dy6FeTe2","formula_anonymous":"AB2C6","energy_above_hull":1.731242225925926,"spacegroup":189},{"id":"jvasp-111314","created_at":"2022-09-04T14:38:44.049262Z","updated_at":"2022-09-04T14:38:44.049275Z","structure_string":"Lu6 Mn1 Bi2\n1.0\n8.070719 0.000000 0.000000\n-4.035360 6.989447 0.000000\n-0.000000 -0.000000 4.147852\nLu Mn Bi\n6 1 2\ndirect\n0.229416 -0.000000 0.500000 Lu\n0.000000 0.229417 0.500000 Lu\n0.770584 0.770584 0.500000 Lu\n0.620098 -0.000000 -0.000000 Lu\n0.000000 0.620098 -0.000000 Lu\n0.379902 0.379902 -0.000000 Lu\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666667 0.500000 Bi\n0.666667 0.333333 0.500000 Bi\n","nsites":9,"nelements":3,"elements":["Lu","Mn","Bi"],"chemical_system":"Bi-Lu-Mn","density":10.806508306928269,"density_atomic":0.03846486520720942,"volume":233.97976182984627,"volume_molar":15.65621178589566,"formula_full":"Lu6 Mn1 Bi2","formula_reduced":"Lu6MnBi2","formula_anonymous":"AB2C6","energy_above_hull":1.804053371264368,"spacegroup":189},{"id":"jvasp-9996","created_at":"2022-09-04T14:37:06.080785Z","updated_at":"2022-09-04T14:37:06.080812Z","structure_string":"Rb1 Ca2 Ta3 O10\n1.0\n3.928305 -0.000000 0.000000\n0.000000 3.928305 0.000000\n0.000000 0.000000 15.163770\nRb Ca Ta O\n1 2 3 10\ndirect\n0.499999 0.499999 0.500000 Rb\n0.499999 0.499999 0.849872 Ca\n0.499999 0.499999 0.150128 Ca\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.281562 Ta\n0.000000 0.000000 0.718438 Ta\n0.000000 0.000000 0.599829 O\n0.000000 0.000000 0.400171 O\n0.499999 0.000000 0.746799 O\n0.000000 0.499999 0.746799 O\n0.499999 0.000000 0.253201 O\n0.000000 0.499999 0.253201 O\n0.000000 0.499999 0.000000 O\n0.499999 0.000000 0.000000 O\n0.000000 0.000000 0.129688 O\n0.000000 0.000000 0.870312 O\n","nsites":16,"nelements":4,"elements":["Rb","Ca","Ta","O"],"chemical_system":"Ca-O-Rb-Ta","density":6.162856419715467,"density_atomic":0.06837579590135279,"volume":234.0009324803113,"volume_molar":8.807415958548066,"formula_full":"Rb1 Ca2 Ta3 O10","formula_reduced":"RbCa2Ta3O10","formula_anonymous":"AB2C3D10","energy_above_hull":3.11608209,"spacegroup":123},{"id":"jvasp-22543","created_at":"2022-09-04T14:37:27.317146Z","updated_at":"2022-09-04T14:37:27.317168Z","structure_string":"Sr1 Al2 Te4\n1.0\n6.749684 0.003429 0.003429\n3.371783 5.889706 0.001750\n3.371783 0.001750 5.889706\nSr Al Te\n1 2 4\ndirect\n0.749999 0.999995 0.000006 Sr\n0.249999 0.500010 0.499991 Al\n0.749999 0.499993 0.500007 Al\n0.174054 0.500002 0.151888 Te\n0.325944 0.848113 0.499999 Te\n0.674048 0.151894 0.500005 Te\n0.825950 0.499996 0.848107 Te\n","nsites":7,"nelements":3,"elements":["Sr","Al","Te"],"chemical_system":"Al-Sr-Te","density":4.626658043059625,"density_atomic":0.02991438102823797,"volume":234.00116463691097,"volume_molar":20.131256449248745,"formula_full":"Sr1 Al2 Te4","formula_reduced":"Sr(AlTe2)2","formula_anonymous":"AB2C4","energy_above_hull":0.9251189966666667,"spacegroup":97},{"id":"jvasp-31173","created_at":"2022-09-04T14:38:17.627392Z","updated_at":"2022-09-04T14:38:17.627413Z","structure_string":"Sr1 Al2 Te4\n1.0\n6.749684 0.003429 0.003429\n3.371782 5.889709 0.001750\n3.371782 0.001750 5.889709\nSr Al Te\n1 2 4\ndirect\n0.749999 0.999995 0.000006 Sr\n0.249999 0.500010 0.499991 Al\n0.749999 0.499993 0.500007 Al\n0.174054 0.500002 0.151888 Te\n0.325945 0.848112 0.499998 Te\n0.674048 0.151894 0.500005 Te\n0.825950 0.499995 0.848106 Te\n","nsites":7,"nelements":3,"elements":["Sr","Al","Te"],"chemical_system":"Al-Sr-Te","density":4.626653327594159,"density_atomic":0.029914350539658668,"volume":234.00140312990638,"volume_molar":20.13127696694001,"formula_full":"Sr1 Al2 Te4","formula_reduced":"Sr(AlTe2)2","formula_anonymous":"AB2C4","energy_above_hull":0.9251175680952382,"spacegroup":97},{"id":"jvasp-19405","created_at":"2022-09-04T14:37:02.546642Z","updated_at":"2022-09-04T14:37:02.546662Z","structure_string":"Mg4 Ta2 Sn2 O12\n1.0\n0.000000 5.438320 -0.002722\n7.805217 0.000000 0.000000\n0.000000 -0.189528 -5.513233\nMg Ta Sn O\n4 2 2 12\ndirect\n0.013206 0.750000 0.964758 Mg\n0.488310 0.750000 0.462329 Mg\n0.511690 0.250000 0.537670 Mg\n0.986794 0.250000 0.035242 Mg\n-0.000000 0.000000 0.500000 Ta\n-0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 -0.000000 Sn\n0.500000 0.500000 -0.000000 Sn\n0.859503 0.930581 0.179949 O\n0.369224 0.750000 0.098186 O\n0.140496 0.069419 0.820050 O\n0.687664 0.929089 0.649752 O\n0.312336 0.429089 0.350248 O\n0.687664 0.570912 0.649752 O\n0.312336 0.070911 0.350248 O\n0.859503 0.569420 0.179949 O\n0.630775 0.250000 0.901813 O\n0.140496 0.430581 0.820050 O\n0.868804 0.250000 0.417299 O\n0.131195 0.750000 0.582700 O\n","nsites":20,"nelements":4,"elements":["Mg","Ta","Sn","O"],"chemical_system":"Mg-O-Sn-Ta","density":6.304591169667772,"density_atomic":0.08546069801315785,"volume":234.02570380270853,"volume_molar":7.046678648789889,"formula_full":"Mg4 Ta2 Sn2 O12","formula_reduced":"Mg2TaSnO6","formula_anonymous":"ABC2D6","energy_above_hull":2.129651,"spacegroup":11},{"id":"jvasp-119405","created_at":"2022-09-04T14:38:48.334716Z","updated_at":"2022-09-04T14:38:48.334749Z","structure_string":"Dy3 Al9\n1.0\n5.683321 -0.017309 5.469353\n2.316233 5.189942 5.469353\n-0.026769 -0.017309 7.887536\nDy Al\n3 9\ndirect\n0.000000 0.000000 0.000000 Dy\n0.782232 0.782232 0.782233 Dy\n0.217767 0.217767 0.217767 Dy\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.703145 0.263461 0.703146 Al\n0.703145 0.703145 0.263461 Al\n0.263461 0.703145 0.703146 Al\n0.296854 0.736538 0.296855 Al\n0.296854 0.296854 0.736539 Al\n0.736539 0.296854 0.296855 Al\n","nsites":12,"nelements":2,"elements":["Dy","Al"],"chemical_system":"Al-Dy","density":5.1815988271837075,"density_atomic":0.05127132084214245,"volume":234.04897324464096,"volume_molar":11.745632180105847,"formula_full":"Dy3 Al9","formula_reduced":"DyAl3","formula_anonymous":"AB3","energy_above_hull":1.5001912250000002,"spacegroup":166},{"id":"jvasp-63916","created_at":"2022-09-04T14:35:49.189200Z","updated_at":"2022-09-04T14:35:49.189218Z","structure_string":"Ba4 Ta1 Be1\n1.0\n0.000000 4.891465 4.891465\n4.891465 0.000000 4.891465\n4.891465 4.891465 -0.000000\nBa Ta Be\n4 1 1\ndirect\n0.124739 0.625087 0.625087 Ba\n0.625087 0.625087 0.625087 Ba\n0.625087 0.124739 0.625087 Ba\n0.625087 0.625087 0.124739 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Be\n","nsites":6,"nelements":3,"elements":["Ba","Ta","Be"],"chemical_system":"Ba-Be-Ta","density":5.244501269339246,"density_atomic":0.025633293113269156,"volume":234.07058833552998,"volume_molar":23.493433845542928,"formula_full":"Ba4 Ta1 Be1","formula_reduced":"Ba4TaBe","formula_anonymous":"ABC4","energy_above_hull":1.6334848633333328,"spacegroup":216}]}