{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3592","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3590","results":[{"id":"jvasp-64927","created_at":"2022-09-04T14:36:15.828322Z","updated_at":"2022-09-04T14:36:15.828349Z","structure_string":"Zr1 Be1 Bi4\n1.0\n0.000000 4.506221 4.506221\n4.506221 0.000000 4.506221\n4.506221 4.506221 0.000000\nZr Be Bi\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n0.625191 0.124427 0.625191 Bi\n0.124427 0.625191 0.625191 Bi\n0.625191 0.625191 0.625191 Bi\n0.625191 0.625191 0.124427 Bi\n","nsites":6,"nelements":3,"elements":["Zr","Be","Bi"],"chemical_system":"Be-Bi-Zr","density":8.494360572247567,"density_atomic":0.032785649620298826,"volume":183.00689690422286,"volume_molar":18.368221553467304,"formula_full":"Zr1 Be1 Bi4","formula_reduced":"ZrBeBi4","formula_anonymous":"ABC4","energy_above_hull":1.9417363000000003,"spacegroup":216},{"id":"jvasp-67004","created_at":"2022-09-04T14:36:15.823591Z","updated_at":"2022-09-04T14:36:15.823622Z","structure_string":"Be2 In1 Cu1\n1.0\n2.979306 0.000000 0.000000\n0.000000 2.979306 -0.000000\n0.000000 0.000000 5.956284\nBe In Cu\n2 1 1\ndirect\n0.000000 0.000000 0.817425 Be\n0.000000 0.000000 0.182574 Be\n0.500001 0.500001 0.500000 In\n0.500001 0.500001 0.000000 Cu\n","nsites":4,"nelements":3,"elements":["Be","In","Cu"],"chemical_system":"Be-Cu-In","density":6.168211124163734,"density_atomic":0.07565791553709089,"volume":52.869550682228635,"volume_molar":7.959696903158371,"formula_full":"Be2 In1 Cu1","formula_reduced":"Be2InCu","formula_anonymous":"ABC2","energy_above_hull":0.780563288125,"spacegroup":123},{"id":"jvasp-92847","created_at":"2022-09-04T14:36:15.823154Z","updated_at":"2022-09-04T14:36:15.823178Z","structure_string":"Ba1 Mg6 Cr1\n1.0\n7.648166 0.813731 0.000000\n-3.119370 5.402907 0.000000\n0.000000 0.000000 5.031491\nBa Mg Cr\n1 6 1\ndirect\n0.085588 0.292794 0.250000 Ba\n0.621783 0.322449 0.250000 Mg\n0.621783 0.799332 0.250000 Mg\n0.356354 0.174247 0.750000 Mg\n0.356354 0.682108 0.750000 Mg\n0.740576 0.120288 0.750000 Mg\n0.937765 0.718882 0.750000 Mg\n0.279801 0.889901 0.250000 Cr\n","nsites":8,"nelements":3,"elements":["Ba","Mg","Cr"],"chemical_system":"Ba-Cr-Mg","density":2.521857242883576,"density_atomic":0.03625084607248138,"volume":220.6845044114138,"volume_molar":16.612414363954684,"formula_full":"Ba1 Mg6 Cr1","formula_reduced":"BaMg6Cr","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":38},{"id":"jvasp-96632","created_at":"2022-09-04T14:36:15.820017Z","updated_at":"2022-09-04T14:36:15.820033Z","structure_string":"Tm8 S8 O4\n1.0\n6.674507 0.000000 -1.149489\n0.000000 6.778449 0.000000\n0.009255 0.000000 8.148236\nTm S O\n8 8 4\ndirect\n0.175979 0.354033 0.424646 Tm\n0.824022 0.645967 0.575355 Tm\n0.675979 0.145967 0.424646 Tm\n0.251029 0.446216 0.861669 Tm\n0.248972 0.946216 0.138331 Tm\n0.748972 0.553784 0.138331 Tm\n0.751030 0.053784 0.861669 Tm\n0.324022 0.854033 0.575355 Tm\n0.419363 0.630593 0.317837 S\n0.080638 0.130593 0.682163 S\n0.580638 0.369407 0.682163 S\n0.969426 0.722016 0.924300 S\n0.530575 0.222016 0.075701 S\n0.030575 0.277984 0.075701 S\n0.469426 0.777984 0.924300 S\n0.919364 0.869407 0.317837 S\n0.650170 0.913152 0.616537 O\n0.849831 0.413152 0.383463 O\n0.349831 0.086848 0.383463 O\n0.150170 0.586848 0.616537 O\n","nsites":20,"nelements":3,"elements":["Tm","S","O"],"chemical_system":"O-S-Tm","density":7.52982764151079,"density_atomic":0.054241529263702015,"volume":368.7211675535084,"volume_molar":11.102453860993862,"formula_full":"Tm8 S8 O4","formula_reduced":"Tm2S2O","formula_anonymous":"AB2C2","energy_above_hull":1.3251664,"spacegroup":14},{"id":"jvasp-85308","created_at":"2022-09-04T14:36:15.815608Z","updated_at":"2022-09-04T14:36:15.815623Z","structure_string":"La4 In2 Cu4\n1.0\n3.945243 0.000000 -0.000000\n-0.000000 7.875634 0.000000\n0.000000 -0.000000 7.875634\nLa In Cu\n4 2 4\ndirect\n0.500000 0.178575 0.678574 La\n0.500000 0.321425 0.178575 La\n0.500000 0.678574 0.821425 La\n0.500000 0.821425 0.321425 La\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.116418 0.383582 Cu\n0.000000 0.383582 0.883581 Cu\n0.000000 0.616418 0.116418 Cu\n0.000000 0.883581 0.616418 Cu\n","nsites":10,"nelements":3,"elements":["La","In","Cu"],"chemical_system":"Cu-In-La","density":7.053497228682145,"density_atomic":0.040865347061129556,"volume":244.70610723166558,"volume_molar":14.736546225807441,"formula_full":"La4 In2 Cu4","formula_reduced":"La2InCu2","formula_anonymous":"AB2C2","energy_above_hull":0.439638174,"spacegroup":127},{"id":"jvasp-96750","created_at":"2022-09-04T14:36:15.811286Z","updated_at":"2022-09-04T14:36:15.811306Z","structure_string":"Na4 Co4 P4 O16\n1.0\n5.017930 0.000000 0.000000\n0.000000 6.795420 0.000000\n0.000000 0.000000 8.912388\nNa Co P O\n4 4 4 16\ndirect\n0.029728 0.750000 0.647195 Na\n0.970272 0.250000 0.352805 Na\n0.529728 0.250000 0.852805 Na\n0.470272 0.750000 0.147195 Na\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.536007 0.750000 0.823315 P\n0.963993 0.750000 0.323315 P\n0.463993 0.250000 0.176685 P\n0.036007 0.250000 0.676685 P\n0.255709 0.750000 0.382728 O\n0.755709 0.250000 0.117273 O\n0.182215 0.435897 0.620668 O\n0.550873 0.750000 0.647093 O\n0.050873 0.250000 0.852908 O\n0.449127 0.250000 0.352907 O\n0.949127 0.750000 0.147093 O\n0.682215 0.935897 0.879333 O\n0.182215 0.064103 0.620668 O\n0.317785 0.435897 0.120668 O\n0.817785 0.564103 0.379332 O\n0.317785 0.064103 0.120668 O\n0.817785 0.935897 0.379332 O\n0.682215 0.564103 0.879333 O\n0.244291 0.750000 0.882728 O\n0.744291 0.250000 0.617273 O\n","nsites":28,"nelements":4,"elements":["Na","Co","P","O"],"chemical_system":"Co-Na-O-P","density":3.866232831302469,"density_atomic":0.0921346612584981,"volume":303.9030004293569,"volume_molar":6.536238021328313,"formula_full":"Na4 Co4 P4 O16","formula_reduced":"NaCoPO4","formula_anonymous":"ABCD4","energy_above_hull":2.203867057142857,"spacegroup":62},{"id":"jvasp-74354","created_at":"2022-09-04T14:36:15.804342Z","updated_at":"2022-09-04T14:36:15.804370Z","structure_string":"Be2 Ni1 Ge1\n1.0\n3.005094 -0.000000 -0.000000\n-0.000000 3.005094 -0.000000\n0.000000 0.000000 4.807180\nBe Ni Ge\n2 1 1\ndirect\n0.000000 0.000000 0.002976 Be\n0.499999 0.499999 0.227526 Be\n0.499999 0.499999 0.770926 Ni\n0.000000 0.000000 0.498573 Ge\n","nsites":4,"nelements":3,"elements":["Be","Ni","Ge"],"chemical_system":"Be-Ge-Ni","density":5.71308116180368,"density_atomic":0.09214111947089869,"volume":43.411671390245445,"volume_molar":6.535779893473074,"formula_full":"Be2 Ni1 Ge1","formula_reduced":"Be2NiGe","formula_anonymous":"ABC2","energy_above_hull":1.3824251375,"spacegroup":99},{"id":"jvasp-48502","created_at":"2022-09-04T14:36:15.802443Z","updated_at":"2022-09-04T14:36:15.802464Z","structure_string":"Li2 Co4 O2 F6\n1.0\n-0.000000 5.844617 -0.000000\n-5.061556 2.922308 -0.000194\n-0.000079 -0.000000 5.194767\nLi Co O F\n2 4 2 6\ndirect\n0.666676 0.666650 0.028029 Li\n0.333325 0.333351 0.971973 Li\n0.500000 0.500001 0.500001 Co\n-0.000000 0.500001 0.500001 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.666663 0.666675 0.672819 O\n0.333337 0.333326 0.327182 O\n0.828215 0.828195 0.217979 F\n0.343593 0.828195 0.217979 F\n0.171789 0.656423 0.782004 F\n0.828212 0.343578 0.217998 F\n0.656408 0.171806 0.782022 F\n0.171786 0.171806 0.782022 F\n","nsites":14,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":4.274679853698009,"density_atomic":0.09110073048149928,"volume":153.67604547191988,"volume_molar":6.610419837657587,"formula_full":"Li2 Co4 O2 F6","formula_reduced":"LiCo2OF3","formula_anonymous":"ABC2D3","energy_above_hull":1.246669449642857,"spacegroup":164},{"id":"jvasp-71416","created_at":"2022-09-04T14:36:15.798454Z","updated_at":"2022-09-04T14:36:15.798469Z","structure_string":"K2 Be1 Fe1\n1.0\n3.240208 0.000000 0.000000\n0.000000 3.240208 0.000000\n-0.000000 0.000000 9.908580\nK Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.915368 K\n0.500000 0.500000 0.335059 K\n0.000000 0.000000 0.610958 Be\n0.500000 0.500000 0.638615 Fe\n","nsites":4,"nelements":3,"elements":["K","Be","Fe"],"chemical_system":"Be-Fe-K","density":2.283448606671127,"density_atomic":0.03845057079959351,"volume":104.02966501715201,"volume_molar":15.662032148723432,"formula_full":"K2 Be1 Fe1","formula_reduced":"K2BeFe","formula_anonymous":"ABC2","energy_above_hull":1.0040368999999998,"spacegroup":99},{"id":"jvasp-18406","created_at":"2022-09-04T14:36:15.791939Z","updated_at":"2022-09-04T14:36:15.791960Z","structure_string":"Sm1 H2\n1.0\n3.293092 -0.000000 1.901268\n1.097698 3.104757 1.901268\n-0.000000 0.000000 3.802535\nSm H\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750001 0.750002 H\n0.250000 0.250000 0.250001 H\n","nsites":3,"nelements":2,"elements":["Sm","H"],"chemical_system":"H-Sm","density":6.508196024784218,"density_atomic":0.0771643239766045,"volume":38.878070141709166,"volume_molar":7.804307029017525,"formula_full":"Sm1 H2","formula_reduced":"SmH2","formula_anonymous":"AB2","energy_above_hull":1.7389596250000006,"spacegroup":225},{"id":"jvasp-65520","created_at":"2022-09-04T14:36:15.788713Z","updated_at":"2022-09-04T14:36:15.788736Z","structure_string":"Ba1 Os1 Cl2\n1.0\n5.005477 0.000000 0.000000\n0.000000 5.005477 0.000000\n0.000000 0.000000 4.118364\nBa Os Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Os\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Os","Cl"],"chemical_system":"Ba-Cl-Os","density":6.412412154767681,"density_atomic":0.03876540468800456,"volume":103.18478633702351,"volume_molar":15.53483269030201,"formula_full":"Ba1 Os1 Cl2","formula_reduced":"BaOsCl2","formula_anonymous":"ABC2","energy_above_hull":1.43971977625,"spacegroup":123},{"id":"jvasp-89050","created_at":"2022-09-04T14:36:15.788229Z","updated_at":"2022-09-04T14:36:15.788254Z","structure_string":"Sr2 W2 O8\n1.0\n5.043585 -0.000052 -2.082313\n-0.859632 4.969366 -2.082070\n-0.007238 -0.008244 7.131885\nSr W O\n2 2 8\ndirect\n0.625002 0.875008 0.249999 Sr\n0.374998 0.124994 0.750002 Sr\n0.124995 0.374996 0.249993 W\n0.875005 0.625006 0.750008 W\n0.194800 0.565422 0.916274 O\n0.350841 0.694808 0.416260 O\n0.065423 0.221496 0.416289 O\n0.721484 0.850861 0.916275 O\n0.278515 0.149140 0.083727 O\n0.934577 0.778506 0.583713 O\n0.649159 0.305194 0.583742 O\n0.805199 0.434580 0.083728 O\n","nsites":12,"nelements":3,"elements":["Sr","W","O"],"chemical_system":"O-Sr-W","density":6.238802223753785,"density_atomic":0.06719945264897267,"volume":178.5728830662351,"volume_molar":8.961591981199069,"formula_full":"Sr2 W2 O8","formula_reduced":"SrWO4","formula_anonymous":"ABC4","energy_above_hull":2.661541718333334,"spacegroup":88}]}