{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=119","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=created_at&page=117","results":[{"id":"jvasp-18945","created_at":"2022-09-04T14:35:44.618956Z","updated_at":"2022-09-04T14:35:44.618984Z","structure_string":"Sm1 P1\n1.0\n3.554529 0.000000 2.052208\n1.184843 3.351241 2.052208\n0.000000 0.000000 4.104416\nSm P\n1 1\ndirect\n0.500000 0.500000 0.500001 Sm\n0.000000 0.000000 0.000000 P\n","nsites":2,"nelements":2,"elements":["Sm","P"],"chemical_system":"P-Sm","density":6.158694685854219,"density_atomic":0.04090636613924668,"volume":48.892145373948175,"volume_molar":14.721769075014937,"formula_full":"Sm1 P1","formula_reduced":"SmP","formula_anonymous":"AB","energy_above_hull":0.6645721875000001,"spacegroup":225},{"id":"jvasp-91803","created_at":"2022-09-04T14:35:44.620221Z","updated_at":"2022-09-04T14:35:44.620245Z","structure_string":"Nb4 Ge2 C2\n1.0\n-1.641538 -2.843197 -0.000000\n-1.641538 2.843197 0.000000\n0.000000 -0.000000 -12.572115\nNb Ge C\n4 2 2\ndirect\n0.666661 0.333341 0.593437 Nb\n0.333341 0.666661 0.406563 Nb\n0.333341 0.666661 0.093437 Nb\n0.666661 0.333341 0.906562 Nb\n0.333318 0.666683 0.750000 Ge\n0.666683 0.333318 0.250000 Ge\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n","nsites":8,"nelements":3,"elements":["Nb","Ge","C"],"chemical_system":"C-Ge-Nb","density":7.654052895626522,"density_atomic":0.06817007212416426,"volume":117.35355047635689,"volume_molar":8.833994995679827,"formula_full":"Nb4 Ge2 C2","formula_reduced":"Nb2GeC","formula_anonymous":"ABC2","energy_above_hull":4.3165086875,"spacegroup":194},{"id":"jvasp-74393","created_at":"2022-09-04T14:35:44.624809Z","updated_at":"2022-09-04T14:35:44.624841Z","structure_string":"Be2 Co1 Ni1\n1.0\n2.602771 0.000000 -0.000000\n-0.000000 2.602771 0.000000\n-0.000000 0.000000 5.187130\nBe Co Ni\n2 1 1\ndirect\n0.000000 0.000000 0.759267 Be\n0.000000 0.000000 0.240733 Be\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Ni\n","nsites":4,"nelements":3,"elements":["Be","Co","Ni"],"chemical_system":"Be-Co-Ni","density":6.410219707856179,"density_atomic":0.11383110206121416,"volume":35.13978102266767,"volume_molar":5.290417689852037,"formula_full":"Be2 Co1 Ni1","formula_reduced":"Be2CoNi","formula_anonymous":"ABC2","energy_above_hull":1.891463875,"spacegroup":123},{"id":"jvasp-66788","created_at":"2022-09-04T14:35:44.625675Z","updated_at":"2022-09-04T14:35:44.625697Z","structure_string":"Be2 Cu1 Se1\n1.0\n3.201359 -0.000000 0.000000\n0.000000 3.201359 0.000000\n0.000000 0.000000 4.900788\nBe Cu Se\n2 1 1\ndirect\n0.000000 0.000000 0.767583 Be\n0.000000 0.000000 0.232418 Be\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Se\n","nsites":4,"nelements":3,"elements":["Be","Cu","Se"],"chemical_system":"Be-Cu-Se","density":5.307275283263597,"density_atomic":0.07963891197288346,"volume":50.226703264881046,"volume_molar":7.561806924296631,"formula_full":"Be2 Cu1 Se1","formula_reduced":"Be2CuSe","formula_anonymous":"ABC2","energy_above_hull":1.2318340041666669,"spacegroup":123},{"id":"jvasp-50369","created_at":"2022-09-04T14:35:44.626911Z","updated_at":"2022-09-04T14:35:44.626931Z","structure_string":"Hf8 N8 O4\n1.0\n5.425372 0.000918 0.000984\n2.711705 4.767146 0.000206\n2.710510 1.483828 9.754398\nHf N O\n8 8 4\ndirect\n0.417737 0.438458 0.713916 Hf\n0.907498 0.956571 0.211991 Hf\n0.326627 0.294198 0.036099 Hf\n0.170476 0.164673 0.463861 Hf\n0.820721 0.812239 0.534182 Hf\n0.049591 0.086034 0.784238 Hf\n0.679076 0.672459 0.963079 Hf\n0.565203 0.578282 0.285023 Hf\n0.624205 0.333979 0.121073 N\n0.587581 0.868836 0.374874 N\n0.081844 0.381905 0.873219 N\n0.329834 0.916784 0.127034 N\n0.675055 0.076555 0.881072 N\n0.883280 0.174188 0.367022 N\n0.835128 0.422065 0.628918 N\n0.136724 0.828635 0.619175 N\n0.934297 0.625382 0.124044 O\n0.382269 0.690604 0.865119 O\n0.444636 0.125340 0.624053 O\n0.188603 0.560110 0.382991 O\n","nsites":20,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":10.558857957080523,"density_atomic":0.07928687111633831,"volume":252.24857177998396,"volume_molar":7.5953820288401355,"formula_full":"Hf8 N8 O4","formula_reduced":"Hf2N2O","formula_anonymous":"AB2C2","energy_above_hull":4.5664172,"spacegroup":5},{"id":"jvasp-97955","created_at":"2022-09-04T14:35:44.630144Z","updated_at":"2022-09-04T14:35:44.630176Z","structure_string":"H4 C4 S6 N4 O12 F12\n1.0\n4.477005 2.709392 -0.394925\n-4.477005 2.709392 0.394925\n-0.024986 0.000000 20.738601\nH C S N O F\n4 4 6 4 12 12\ndirect\n0.036781 0.405383 0.798658 H\n0.405383 0.036782 0.701342 H\n0.963218 0.594616 0.201342 H\n0.594616 0.963218 0.298658 H\n0.320600 0.226673 0.931679 C\n0.226673 0.320600 0.568321 C\n0.679399 0.773326 0.068321 C\n0.773326 0.679399 0.431679 C\n0.570251 0.570252 0.250000 S\n0.429747 0.429748 0.750000 S\n0.956605 0.902870 0.357986 S\n0.043393 0.097130 0.642014 S\n0.097129 0.043394 0.857986 S\n0.902869 0.956606 0.142014 S\n0.176085 0.316440 0.803936 N\n0.316439 0.176086 0.696064 N\n0.823914 0.683560 0.196064 N\n0.683559 0.823914 0.303936 N\n0.134256 0.786170 0.337988 O\n0.572633 0.318362 0.280447 O\n0.318361 0.572633 0.219553 O\n0.427366 0.681638 0.719553 O\n0.681637 0.427366 0.780447 O\n0.786170 0.134256 0.162012 O\n0.196879 0.059074 0.126838 O\n0.213829 0.865743 0.837988 O\n0.059073 0.196879 0.373162 O\n0.940925 0.803121 0.626838 O\n0.803120 0.940926 0.873162 O\n0.865743 0.213830 0.662012 O\n0.346020 0.603534 0.578746 F\n0.603534 0.346021 0.921254 F\n0.978169 0.744728 0.480012 F\n0.744728 0.978169 0.019988 F\n0.021830 0.255271 0.519988 F\n0.568614 0.747327 0.447839 F\n0.747326 0.568614 0.052161 F\n0.431385 0.252673 0.552161 F\n0.252672 0.431386 0.947839 F\n0.396465 0.653979 0.078746 F\n0.255271 0.021830 0.980012 F\n0.653979 0.396465 0.421254 F\n","nsites":42,"nelements":6,"elements":["H","C","S","N","O","F"],"chemical_system":"C-F-H-N-O-S","density":2.3781501288226035,"density_atomic":0.08348848370973203,"volume":503.0633943002629,"volume_molar":7.213139456379917,"formula_full":"H4 C4 S6 N4 O12 F12","formula_reduced":"H2C2S3N2(OF)6","formula_anonymous":"A2B2C2D3E6F6","energy_above_hull":2.775376628333333,"spacegroup":15},{"id":"jvasp-90656","created_at":"2022-09-04T14:35:44.630246Z","updated_at":"2022-09-04T14:35:44.630275Z","structure_string":"In2 Pd6\n1.0\n4.119476 -0.000000 0.000000\n-0.000000 4.119476 0.000000\n-2.059739 -2.059739 7.726698\nIn Pd\n2 6\ndirect\n0.874909 0.874909 0.749816 In\n0.125092 0.125092 0.250184 In\n0.500000 -0.000000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.250000 0.750001 0.500000 Pd\n0.750001 0.250000 0.500000 Pd\n0.625844 0.625844 0.251689 Pd\n0.374156 0.374156 0.748312 Pd\n","nsites":8,"nelements":2,"elements":["In","Pd"],"chemical_system":"In-Pd","density":10.994335267964724,"density_atomic":0.061011555129904256,"volume":131.1227026252093,"volume_molar":9.8704921505079,"formula_full":"In2 Pd6","formula_reduced":"InPd3","formula_anonymous":"AB3","energy_above_hull":1.0141117675000002,"spacegroup":139},{"id":"jvasp-359","created_at":"2022-09-04T14:35:44.630682Z","updated_at":"2022-09-04T14:35:44.630707Z","structure_string":"Zr2 Te2\n1.0\n1.884960 -3.264848 0.000000\n1.884960 3.264848 0.000000\n0.000000 0.000000 7.908647\nZr Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n","nsites":4,"nelements":2,"elements":["Zr","Te"],"chemical_system":"Te-Zr","density":7.465806903228649,"density_atomic":0.04109251277168856,"volume":97.34133374184587,"volume_molar":14.655080338988332,"formula_full":"Zr2 Te2","formula_reduced":"ZrTe","formula_anonymous":"AB","energy_above_hull":1.3153511333333334,"spacegroup":194},{"id":"jvasp-69187","created_at":"2022-09-04T14:35:44.635729Z","updated_at":"2022-09-04T14:35:44.635759Z","structure_string":"Ba1 Ge2 Cl1\n1.0\n4.302828 0.000000 0.000000\n-0.000000 4.302828 -0.000000\n0.000000 -0.000000 6.249738\nBa Ge Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.696657 Ge\n0.000000 0.000000 0.303343 Ge\n0.500000 0.500000 0.500000 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Ge","Cl"],"chemical_system":"Ba-Cl-Ge","density":4.564449101602804,"density_atomic":0.034569269938007685,"volume":115.70970423075502,"volume_molar":17.420503154389355,"formula_full":"Ba1 Ge2 Cl1","formula_reduced":"BaGe2Cl","formula_anonymous":"ABC2","energy_above_hull":0.3516892275,"spacegroup":123},{"id":"jvasp-43986","created_at":"2022-09-04T14:35:44.635887Z","updated_at":"2022-09-04T14:35:44.635913Z","structure_string":"V8 O12 F4\n1.0\n4.650507 -0.131754 0.000000\n-0.131754 4.650507 -0.000000\n0.000000 -0.000000 11.665290\nV O F\n8 12 4\ndirect\n0.000000 0.000000 0.000000 V\n0.979641 0.020360 0.250000 V\n0.000000 0.000000 0.500000 V\n0.020360 0.979641 0.750000 V\n0.528382 0.471619 0.125899 V\n0.471619 0.528382 0.625899 V\n0.471619 0.528382 0.874102 V\n0.528382 0.471619 0.374101 V\n0.803518 0.196483 0.374119 O\n0.803518 0.196483 0.125881 O\n0.696557 0.707577 0.750000 O\n0.698976 0.698976 0.500000 O\n0.707577 0.696557 0.250000 O\n0.698976 0.698976 0.000000 O\n0.303444 0.292424 0.250000 O\n0.301025 0.301025 0.500000 O\n0.301025 0.301025 0.000000 O\n0.196483 0.803518 0.625881 O\n0.196483 0.803518 0.874119 O\n0.292424 0.303444 0.750000 O\n0.795173 0.204829 0.625254 F\n0.204829 0.795173 0.125254 F\n0.204829 0.795173 0.374746 F\n0.795173 0.204829 0.874746 F\n","nsites":24,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.449783395047795,"density_atomic":0.0952058915037138,"volume":252.08523990412723,"volume_molar":6.325386659254264,"formula_full":"V8 O12 F4","formula_reduced":"V2O3F","formula_anonymous":"AB2C3","energy_above_hull":2.4778031970833334,"spacegroup":63},{"id":"jvasp-68327","created_at":"2022-09-04T14:35:44.636509Z","updated_at":"2022-09-04T14:35:44.636533Z","structure_string":"Be2 Nb1 Tc1\n1.0\n3.062260 0.000000 0.000000\n0.000000 3.062260 0.000000\n0.000000 0.000000 5.288836\nBe Nb Tc\n2 1 1\ndirect\n0.000000 0.000000 0.204436 Be\n0.000000 0.000000 0.795565 Be\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Tc\n","nsites":4,"nelements":3,"elements":["Be","Nb","Tc"],"chemical_system":"Be-Nb-Tc","density":6.995314182740131,"density_atomic":0.08065211634615829,"volume":49.595722731341965,"volume_molar":7.4668105845518244,"formula_full":"Be2 Nb1 Tc1","formula_reduced":"Be2NbTc","formula_anonymous":"ABC2","energy_above_hull":3.631015775,"spacegroup":123},{"id":"jvasp-105884","created_at":"2022-09-04T14:35:44.637640Z","updated_at":"2022-09-04T14:35:44.637655Z","structure_string":"Yb1 Au1 O3\n1.0\n4.008335 0.000000 -0.000000\n-0.000000 4.008335 -0.000000\n0.000000 0.000000 4.008335\nYb Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Au\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n","nsites":5,"nelements":3,"elements":["Yb","Au","O"],"chemical_system":"Au-O-Yb","density":10.778003031151137,"density_atomic":0.0776386493663774,"volume":64.40091424575098,"volume_molar":7.756627413212033,"formula_full":"Yb1 Au1 O3","formula_reduced":"YbAuO3","formula_anonymous":"ABC3","energy_above_hull":1.2228917539999995,"spacegroup":221}]}