{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3416","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=3414","results":[{"id":"jvasp-90245","created_at":"2022-09-04T14:35:41.340058Z","updated_at":"2022-09-04T14:35:41.340071Z","structure_string":"K2 Pt1 O6\n1.0\n4.731912 -0.465316 1.159991\n0.797837 4.687319 1.159991\n-0.609445 -0.465316 4.833751\nK Pt O\n2 1 6\ndirect\n0.649764 0.649764 0.649765 K\n0.350235 0.350235 0.350235 K\n0.000000 0.000000 0.000000 Pt\n0.919490 0.097843 0.594024 O\n0.594024 0.919490 0.097845 O\n0.097844 0.594023 0.919490 O\n0.080510 0.902155 0.405976 O\n0.405975 0.080509 0.902155 O\n0.902155 0.405975 0.080510 O\n","nsites":9,"nelements":3,"elements":["K","Pt","O"],"chemical_system":"K-O-Pt","density":5.342703633979021,"density_atomic":0.07841555797007017,"volume":114.77314238374915,"volume_molar":7.679777987805104,"formula_full":"K2 Pt1 O6","formula_reduced":"K2PtO6","formula_anonymous":"AB2C6","energy_above_hull":1.911393155555556,"spacegroup":148},{"id":"jvasp-75612","created_at":"2022-09-04T14:35:41.340566Z","updated_at":"2022-09-04T14:35:41.340595Z","structure_string":"Cd1 As1 Ru1\n1.0\n-0.000000 3.141127 3.141127\n3.141127 0.000000 3.141127\n3.141127 3.141127 -0.000000\nCd As Ru\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Ru\n","nsites":3,"nelements":3,"elements":["Cd","As","Ru"],"chemical_system":"As-Cd-Ru","density":7.726125982912388,"density_atomic":0.04839881979011712,"volume":61.984982547293235,"volume_molar":12.442742996864775,"formula_full":"Cd1 As1 Ru1","formula_reduced":"CdAsRu","formula_anonymous":"ABC","energy_above_hull":1.7714473333333332,"spacegroup":216},{"id":"jvasp-74737","created_at":"2022-09-04T14:35:41.343161Z","updated_at":"2022-09-04T14:35:41.343188Z","structure_string":"Mn1 Be2 Zn1\n1.0\n2.697038 0.000000 0.000000\n0.000000 2.697038 -0.000000\n0.000000 0.000000 5.751844\nMn Be Zn\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.769439 Be\n0.000000 0.000000 0.230561 Be\n0.500000 0.500000 0.500000 Zn\n","nsites":4,"nelements":3,"elements":["Mn","Be","Zn"],"chemical_system":"Be-Mn-Zn","density":5.49179390838264,"density_atomic":0.09560459401730857,"volume":41.83899362907003,"volume_molar":6.299007722275075,"formula_full":"Mn1 Be2 Zn1","formula_reduced":"MnBe2Zn","formula_anonymous":"ABC2","energy_above_hull":1.5959799603448273,"spacegroup":123},{"id":"jvasp-95058","created_at":"2022-09-04T14:35:41.345438Z","updated_at":"2022-09-04T14:35:41.345455Z","structure_string":"Ti2 Fe2 H2\n1.0\n-2.899664 0.000000 0.000000\n0.000000 -0.000000 -4.265001\n0.000000 -4.552356 -0.000000\nTi Fe H\n2 2 2\ndirect\n0.499999 0.750000 0.253422 Ti\n0.499999 0.250000 0.746579 Ti\n0.000000 0.750000 0.696501 Fe\n0.000000 0.250000 0.303500 Fe\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n","nsites":6,"nelements":3,"elements":["Ti","Fe","H"],"chemical_system":"Fe-H-Ti","density":6.177396059023524,"density_atomic":0.10657325226856945,"volume":56.29930467806056,"volume_molar":5.650705624356786,"formula_full":"Ti2 Fe2 H2","formula_reduced":"TiFeH","formula_anonymous":"ABC","energy_above_hull":2.7949779444444447,"spacegroup":51},{"id":"jvasp-66639","created_at":"2022-09-04T14:35:41.348654Z","updated_at":"2022-09-04T14:35:41.348684Z","structure_string":"Ba4 Sc1 Fe1\n1.0\n0.000000 4.970179 4.970179\n4.970179 -0.000000 4.970179\n4.970179 4.970179 -0.000000\nBa Sc Fe\n4 1 1\ndirect\n0.127353 0.624216 0.624216 Ba\n0.624216 0.624216 0.624216 Ba\n0.624216 0.127353 0.624216 Ba\n0.624216 0.624216 0.127353 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Fe\n","nsites":6,"nelements":3,"elements":["Ba","Sc","Fe"],"chemical_system":"Ba-Fe-Sc","density":4.396318328406283,"density_atomic":0.02443459609910392,"volume":245.55347572207407,"volume_molar":24.645959915092877,"formula_full":"Ba4 Sc1 Fe1","formula_reduced":"Ba4ScFe","formula_anonymous":"ABC4","energy_above_hull":1.1373241049999998,"spacegroup":216},{"id":"jvasp-75654","created_at":"2022-09-04T14:35:41.362228Z","updated_at":"2022-09-04T14:35:41.362260Z","structure_string":"Ti1 As1 Ru2\n1.0\n-0.000000 3.098871 3.098871\n3.098871 -0.000000 3.098871\n3.098871 3.098871 -0.000000\nTi As Ru\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Ru\n","nsites":4,"nelements":3,"elements":["Ti","As","Ru"],"chemical_system":"As-Ru-Ti","density":9.065599894980316,"density_atomic":0.06720777261254236,"volume":59.51692556544445,"volume_molar":8.960482583938727,"formula_full":"Ti1 As1 Ru2","formula_reduced":"TiAsRu2","formula_anonymous":"ABC2","energy_above_hull":3.7794927708333335,"spacegroup":216},{"id":"jvasp-96665","created_at":"2022-09-04T14:35:41.365769Z","updated_at":"2022-09-04T14:35:41.365787Z","structure_string":"Ta6 Fe16 Si7\n1.0\n6.861847 -0.000000 3.961689\n2.287282 6.469410 3.961689\n-0.000000 -0.000000 7.923377\nTa Fe Si\n6 16 7\ndirect\n0.796826 0.796826 0.203174 Ta\n0.203174 0.796826 0.796826 Ta\n0.203174 0.796826 0.203174 Ta\n0.796826 0.203174 0.796826 Ta\n0.203174 0.203174 0.796826 Ta\n0.796826 0.203174 0.203174 Ta\n0.172923 0.172923 0.481232 Fe\n0.827077 0.827077 0.827077 Fe\n0.827077 0.827077 0.518768 Fe\n0.380257 0.380257 0.380257 Fe\n0.619743 0.619743 0.140772 Fe\n0.140772 0.619743 0.619743 Fe\n0.619743 0.140772 0.619743 Fe\n0.859228 0.380257 0.380257 Fe\n0.380257 0.859228 0.380257 Fe\n0.172923 0.481232 0.172923 Fe\n0.481232 0.172923 0.172923 Fe\n0.619743 0.619743 0.619743 Fe\n0.518768 0.827077 0.827077 Fe\n0.380257 0.380257 0.859228 Fe\n0.172923 0.172923 0.172923 Fe\n0.827077 0.518768 0.827077 Fe\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n","nsites":29,"nelements":3,"elements":["Ta","Fe","Si"],"chemical_system":"Fe-Si-Ta","density":10.271957109690604,"density_atomic":0.08244835055461093,"volume":351.7353568012426,"volume_molar":7.304137341123814,"formula_full":"Ta6 Fe16 Si7","formula_reduced":"Ta6Fe16Si7","formula_anonymous":"A6B7C16","energy_above_hull":5.177431151724138,"spacegroup":225},{"id":"jvasp-69120","created_at":"2022-09-04T14:35:41.367507Z","updated_at":"2022-09-04T14:35:41.367536Z","structure_string":"Ba2 Cr1 Br1\n1.0\n0.000000 4.179190 4.179190\n4.179190 0.000000 4.179190\n4.179190 4.179190 0.000000\nBa Cr Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Ba","Cr","Br"],"chemical_system":"Ba-Br-Cr","density":4.624460760799816,"density_atomic":0.027400194611499187,"volume":145.98436458992515,"volume_molar":21.978459807992223,"formula_full":"Ba2 Cr1 Br1","formula_reduced":"Ba2CrBr","formula_anonymous":"ABC2","energy_above_hull":1.00029336125,"spacegroup":225},{"id":"jvasp-67182","created_at":"2022-09-04T14:35:41.369215Z","updated_at":"2022-09-04T14:35:41.369230Z","structure_string":"Zr1 Be2 Rh1\n1.0\n2.913595 0.000000 -0.000000\n-0.000000 2.913595 -0.000000\n0.000000 0.000000 6.194003\nZr Be Rh\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Zr\n0.000000 0.000000 0.814761 Be\n0.000000 0.000000 0.185239 Be\n0.499999 0.499999 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Zr","Be","Rh"],"chemical_system":"Be-Rh-Zr","density":6.699930008759529,"density_atomic":0.07607294224693698,"volume":52.58111336111832,"volume_molar":7.916271649454281,"formula_full":"Zr1 Be2 Rh1","formula_reduced":"ZrBe2Rh","formula_anonymous":"ABC2","energy_above_hull":2.6197849250000003,"spacegroup":123},{"id":"jvasp-72020","created_at":"2022-09-04T14:35:41.372745Z","updated_at":"2022-09-04T14:35:41.372777Z","structure_string":"Mn2 Be1 Pt1\n1.0\n-1.688144 1.688144 4.009683\n1.688144 -1.688144 4.009683\n1.688144 1.688144 -4.009683\nMn Be Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Pt\n","nsites":4,"nelements":3,"elements":["Mn","Be","Pt"],"chemical_system":"Be-Mn-Pt","density":11.406473176106102,"density_atomic":0.08751267954695503,"volume":45.70766225771656,"volume_molar":6.8814493981627125,"formula_full":"Mn2 Be1 Pt1","formula_reduced":"Mn2BePt","formula_anonymous":"ABC2","energy_above_hull":3.1957879956896558,"spacegroup":139},{"id":"jvasp-89025","created_at":"2022-09-04T14:35:41.382962Z","updated_at":"2022-09-04T14:35:41.382978Z","structure_string":"Na8 Si8 Se20\n1.0\n9.407271 0.017164 -0.000000\n-0.142015 9.406214 -0.000000\n-0.000000 -0.000000 10.910855\nNa Si Se\n8 8 20\ndirect\n0.073313 0.417632 0.750000 Na\n0.926687 0.582368 0.250000 Na\n0.417632 0.073313 0.750000 Na\n0.582369 0.926686 0.250000 Na\n0.149015 0.850984 0.500000 Na\n0.850985 0.149015 0.000000 Na\n0.850985 0.149015 0.500000 Na\n0.149015 0.850984 0.000000 Na\n0.254294 0.254294 0.080618 Si\n0.745706 0.745705 0.580618 Si\n0.254294 0.254294 0.419382 Si\n0.745706 0.745705 0.919381 Si\n0.410366 0.682677 0.750000 Si\n0.317323 0.589634 0.250000 Si\n0.682678 0.410365 0.750000 Si\n0.589634 0.317322 0.250000 Si\n0.208594 0.496628 0.075354 Se\n0.496628 0.208594 0.075354 Se\n0.503372 0.791405 0.575354 Se\n0.208594 0.496628 0.424646 Se\n0.791406 0.503371 0.924645 Se\n0.503372 0.791405 0.924645 Se\n0.496628 0.208594 0.424646 Se\n0.791406 0.503371 0.575354 Se\n0.150254 0.150254 0.250000 Se\n0.178539 0.725607 0.750000 Se\n0.155665 0.155665 0.914719 Se\n0.844335 0.844334 0.414719 Se\n0.155665 0.155665 0.585280 Se\n0.844335 0.844334 0.085280 Se\n0.725607 0.178538 0.750000 Se\n0.274393 0.821461 0.250000 Se\n0.440960 0.440960 0.750000 Se\n0.821461 0.274392 0.250000 Se\n0.849746 0.849745 0.750000 Se\n0.559040 0.559039 0.250000 Se\n","nsites":36,"nelements":3,"elements":["Na","Si","Se"],"chemical_system":"Na-Se-Si","density":3.4187944993454553,"density_atomic":0.037286639419309334,"volume":965.4932855482001,"volume_molar":16.150934634461485,"formula_full":"Na8 Si8 Se20","formula_reduced":"Na2Si2Se5","formula_anonymous":"A2B2C5","energy_above_hull":1.4708146703703702,"spacegroup":63},{"id":"jvasp-92695","created_at":"2022-09-04T14:35:41.393324Z","updated_at":"2022-09-04T14:35:41.393350Z","structure_string":"Ce1 Al3 Au1\n1.0\n4.329307 -0.000000 0.000000\n0.000000 4.329307 0.000000\n-2.164653 -2.164653 5.432975\nCe Al Au\n1 3 1\ndirect\n0.990742 0.990742 0.981481 Ce\n0.401521 0.401521 0.803040 Al\n0.753399 0.253398 0.506797 Al\n0.253398 0.753399 0.506797 Al\n0.628945 0.628945 0.257888 Au\n","nsites":5,"nelements":3,"elements":["Ce","Al","Au"],"chemical_system":"Al-Au-Ce","density":6.816777973393387,"density_atomic":0.049101587160258135,"volume":101.82970223917532,"volume_molar":12.264656008664021,"formula_full":"Ce1 Al3 Au1","formula_reduced":"CeAl3Au","formula_anonymous":"ABC3","energy_above_hull":1.5104942939999997,"spacegroup":107}]}