{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=118","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=116","results":[{"id":"jvasp-93799","created_at":"2022-09-04T14:36:11.307216Z","updated_at":"2022-09-04T14:36:11.307237Z","structure_string":"Re2 N4\n1.0\n0.000000 0.000000 2.835179\n3.861840 2.867977 0.000000\n-3.861840 2.867977 0.000000\nRe N\n2 4\ndirect\n0.000000 0.000000 0.500000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.312054 0.687947 N\n0.500000 0.687947 0.312054 N\n0.000000 0.886587 0.886587 N\n0.000000 0.113415 0.113415 N\n","nsites":6,"nelements":2,"elements":["Re","N"],"chemical_system":"N-Re","density":11.328163256437172,"density_atomic":0.09553683081457218,"volume":62.803004337096176,"volume_molar":6.3034755378147285,"formula_full":"Re2 N4","formula_reduced":"ReN2","formula_anonymous":"AB2","energy_above_hull":5.165851499999999,"spacegroup":65},{"id":"jvasp-89916","created_at":"2022-09-04T14:35:54.164230Z","updated_at":"2022-09-04T14:35:54.164255Z","structure_string":"Ta6 N3\n1.0\n-0.000028 0.000048 -4.967997\n-2.658516 -4.604606 0.000032\n-2.658446 4.604565 -0.000064\nTa N\n6 3\ndirect\n0.246455 0.333233 0.333239 Ta\n0.246456 0.666769 0.000006 Ta\n0.246472 0.000000 0.666775 Ta\n0.753545 0.666769 0.666763 Ta\n0.753544 0.333233 0.999996 Ta\n0.753527 0.000000 0.333227 Ta\n0.500000 0.666654 0.333328 N\n0.500000 0.333348 0.666674 N\n0.000000 0.000000 0.000000 N\n","nsites":9,"nelements":2,"elements":["Ta","N"],"chemical_system":"N-Ta","density":15.396077806596228,"density_atomic":0.07399580284891645,"volume":121.62852017939542,"volume_molar":8.138489655009106,"formula_full":"Ta6 N3","formula_reduced":"Ta2N","formula_anonymous":"AB2","energy_above_hull":5.165840549999999,"spacegroup":162},{"id":"jvasp-110834","created_at":"2022-09-04T14:38:37.892932Z","updated_at":"2022-09-04T14:38:37.892964Z","structure_string":"Nb2 Tc1 Ru1\n1.0\n3.901547 -0.000000 2.252559\n1.300516 3.678414 2.252559\n-0.000000 -0.000000 4.505119\nNb Tc Ru\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Nb\n0.750002 0.749999 0.750000 Nb\n0.000000 0.000000 0.000000 Tc\n0.500001 0.499999 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Nb","Tc","Ru"],"chemical_system":"Nb-Ru-Tc","density":9.884935474867781,"density_atomic":0.06186660358987551,"volume":64.65523833370095,"volume_molar":9.734073652922374,"formula_full":"Nb2 Tc1 Ru1","formula_reduced":"Nb2TcRu","formula_anonymous":"ABC2","energy_above_hull":5.1653102,"spacegroup":225},{"id":"jvasp-65118","created_at":"2022-09-04T14:36:10.092599Z","updated_at":"2022-09-04T14:36:10.092628Z","structure_string":"Be1 Mo4 Pd1\n1.0\n0.000000 3.639914 3.639914\n3.639914 0.000000 3.639914\n3.639914 3.639914 -0.000000\nBe Mo Pd\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122540 0.625819 0.625819 Mo\n0.625819 0.625819 0.625819 Mo\n0.625819 0.122540 0.625819 Mo\n0.625819 0.625819 0.122540 Mo\n0.250000 0.250000 0.250000 Pd\n","nsites":6,"nelements":3,"elements":["Be","Mo","Pd"],"chemical_system":"Be-Mo-Pd","density":8.594359353094863,"density_atomic":0.062208236006683765,"volume":96.45025136792738,"volume_molar":9.680616501250688,"formula_full":"Be1 Mo4 Pd1","formula_reduced":"BeMo4Pd","formula_anonymous":"ABC4","energy_above_hull":5.165264233333333,"spacegroup":216},{"id":"jvasp-19719","created_at":"2022-09-04T14:38:18.049770Z","updated_at":"2022-09-04T14:38:18.049793Z","structure_string":"Nb6 Ir2\n1.0\n5.182773 0.000000 0.000000\n-0.000000 5.182773 0.000000\n0.000000 -0.000000 5.182773\nNb Ir\n6 2\ndirect\n0.500000 0.250000 0.000000 Nb\n0.500000 0.750000 0.000000 Nb\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.000000 0.500000 0.250000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n","nsites":8,"nelements":2,"elements":["Nb","Ir"],"chemical_system":"Ir-Nb","density":11.234520734013582,"density_atomic":0.057465001734416675,"volume":139.21517025220373,"volume_molar":10.479666889826696,"formula_full":"Nb6 Ir2","formula_reduced":"Nb3Ir","formula_anonymous":"AB3","energy_above_hull":5.164989825,"spacegroup":223},{"id":"jvasp-36541","created_at":"2022-09-04T14:37:20.092540Z","updated_at":"2022-09-04T14:37:20.092563Z","structure_string":"Cr3 N2\n1.0\n1.971794 -1.971794 0.000000\n1.971794 1.971794 -0.000000\n-1.971794 0.000000 5.789683\nCr N\n3 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.649092 0.649092 0.298185 Cr\n0.350907 0.350907 0.701815 Cr\n0.831179 0.831179 0.662358 N\n0.168820 0.168820 0.337641 N\n","nsites":5,"nelements":2,"elements":["Cr","N"],"chemical_system":"Cr-N","density":6.786769042093897,"density_atomic":0.11106114370471556,"volume":45.020245904308155,"volume_molar":5.422365157711145,"formula_full":"Cr3 N2","formula_reduced":"Cr3N2","formula_anonymous":"A2B3","energy_above_hull":5.16491974,"spacegroup":139},{"id":"jvasp-62528","created_at":"2022-09-04T14:36:07.248377Z","updated_at":"2022-09-04T14:36:07.248403Z","structure_string":"U1 Fe2 B6\n1.0\n-1.566184 3.070762 4.098894\n1.566184 -3.070762 4.098894\n1.566184 3.070762 -4.098894\nU Fe B\n1 2 6\ndirect\n0.500000 0.000000 0.500000 U\n0.846429 0.846429 0.000000 Fe\n0.153570 0.153570 0.000000 Fe\n0.855175 0.499999 0.355175 B\n0.144824 0.499999 0.644823 B\n0.957209 0.696068 0.261141 B\n0.434927 0.696067 0.738857 B\n0.565072 0.303931 0.261141 B\n0.042791 0.303931 0.738857 B\n","nsites":9,"nelements":3,"elements":["U","Fe","B"],"chemical_system":"B-Fe-U","density":8.73065785162039,"density_atomic":0.11413711481979429,"volume":78.852527630558,"volume_molar":5.276233563033439,"formula_full":"U1 Fe2 B6","formula_reduced":"U(FeB3)2","formula_anonymous":"AB2C6","energy_above_hull":5.162618055555556,"spacegroup":71},{"id":"jvasp-90098","created_at":"2022-09-04T14:36:09.689389Z","updated_at":"2022-09-04T14:36:09.689416Z","structure_string":"U1 Fe2 B6\n1.0\n-3.132836 -0.000000 -0.000000\n-1.566419 -3.070209 4.098760\n-1.566419 3.070209 4.098760\nU Fe B\n1 2 6\ndirect\n0.000000 0.500000 0.500000 U\n0.153540 0.846460 0.846460 Fe\n0.846462 0.153539 0.153539 Fe\n0.500001 0.144825 0.855175 B\n0.500001 0.855175 0.144825 B\n0.303924 0.434913 0.957241 B\n0.696078 0.565087 0.042759 B\n0.696078 0.042759 0.565087 B\n0.303924 0.957241 0.434913 B\n","nsites":9,"nelements":3,"elements":["U","Fe","B"],"chemical_system":"B-Fe-U","density":8.73121137121801,"density_atomic":0.114144351059141,"volume":78.84752873435566,"volume_molar":5.27589907351594,"formula_full":"U1 Fe2 B6","formula_reduced":"U(FeB3)2","formula_anonymous":"AB2C6","energy_above_hull":5.1626102777777785,"spacegroup":71},{"id":"jvasp-116349","created_at":"2022-09-04T14:38:49.595274Z","updated_at":"2022-09-04T14:38:49.595296Z","structure_string":"Ti1 N1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 8.466836\nTi N\n1 1\ndirect\n0.000000 0.000000 0.230541 Ti\n0.000000 0.000000 -0.077360 N\n","nsites":2,"nelements":2,"elements":["Ti","N"],"chemical_system":"N-Ti","density":0.433343003417787,"density_atomic":0.008435417842621064,"volume":237.09554610261696,"volume_molar":71.39113760995143,"formula_full":"Ti1 N1","formula_reduced":"TiN","formula_anonymous":"AB","energy_above_hull":5.162505791666667,"spacegroup":99},{"id":"jvasp-112093","created_at":"2022-09-04T14:38:44.005383Z","updated_at":"2022-09-04T14:38:44.005393Z","structure_string":"H12 C14 O4\n1.0\n5.914565 -0.027223 2.308017\n0.687643 4.969047 3.361943\n0.249072 -0.184402 8.924809\nH C O\n12 14 4\ndirect\n0.128906 0.964201 0.553590 H\n0.406866 0.254453 0.864424 H\n0.406865 0.754453 0.364424 H\n0.684250 0.275099 0.517120 H\n0.960650 0.576149 0.817321 H\n0.960651 0.076149 0.317321 H\n0.684248 0.775100 0.017120 H\n0.068680 0.920594 0.819329 H\n0.038288 0.118641 0.922661 H\n0.038288 0.618640 0.422661 H\n0.128906 0.464199 0.053590 H\n0.068681 0.420593 0.319328 H\n0.698502 0.898353 0.334623 C\n0.465392 0.370235 0.897575 C\n0.465393 0.870235 0.397574 C\n0.311083 0.487893 0.003783 C\n0.311082 0.987895 0.503783 C\n0.698503 0.398353 0.834623 C\n0.392705 0.629193 0.048451 C\n0.625316 0.164288 0.480218 C\n0.778306 0.550947 0.871187 C\n0.778306 0.050946 0.371187 C\n0.625316 0.664289 0.980217 C\n0.051839 0.622347 0.295434 C\n0.051843 0.122347 0.795434 C\n0.392705 0.129193 0.548451 C\n0.847840 0.764553 0.237760 O\n0.252092 0.243536 0.659835 O\n0.252092 0.743537 0.159834 O\n0.847840 0.264553 0.737760 O\n","nsites":30,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.5423445113326264,"density_atomic":0.11408590526686369,"volume":262.9597401171126,"volume_molar":5.278601897327569,"formula_full":"H12 C14 O4","formula_reduced":"H6C7O2","formula_anonymous":"A2B6C7","energy_above_hull":5.1624398000000005,"spacegroup":1},{"id":"jvasp-103840","created_at":"2022-09-04T14:37:01.085364Z","updated_at":"2022-09-04T14:37:01.085389Z","structure_string":"H8 C10 S4 N4\n1.0\n5.468959 -0.145213 1.619840\n1.257783 6.128576 -0.127352\n0.068587 -0.241658 9.010349\nH C S N\n8 10 4 4\ndirect\n0.401333 0.165863 0.545656 H\n0.401334 0.665864 0.045657 H\n0.047364 -0.011023 0.722732 H\n0.047364 0.488977 0.222731 H\n0.742654 0.684241 0.483697 H\n0.742655 0.184240 0.983696 H\n0.470307 0.047162 0.120352 H\n0.470308 0.547162 0.620353 H\n0.567263 0.315090 0.208950 C\n0.567263 0.815089 0.708950 C\n0.262656 0.597322 0.852020 C\n0.262658 0.097324 0.352020 C\n0.926603 0.429360 0.020082 C\n0.926604 0.929361 0.520080 C\n0.070593 0.507894 0.100534 C\n0.070594 0.007894 0.600533 C\n0.262162 0.603687 0.004693 C\n0.262163 0.103687 0.504692 C\n0.015478 0.985029 0.325789 S\n0.015481 0.485030 0.825787 S\n0.499671 0.025306 0.847106 S\n0.499671 0.525306 0.347106 S\n0.745333 0.800506 0.567390 N\n0.745333 0.300506 0.067390 N\n0.438972 0.146714 0.220840 N\n0.438972 0.646714 0.720840 N\n","nsites":26,"nelements":4,"elements":["H","C","S","N"],"chemical_system":"C-H-N-S","density":1.7163068841581017,"density_atomic":0.08600594885424757,"volume":302.30467015789384,"volume_molar":7.002004908062339,"formula_full":"H8 C10 S4 N4","formula_reduced":"H4C5(SN)2","formula_anonymous":"A2B2C4D5","energy_above_hull":5.162095115384615,"spacegroup":1},{"id":"jvasp-108632","created_at":"2022-09-04T14:37:59.481014Z","updated_at":"2022-09-04T14:37:59.481045Z","structure_string":"Hf2 Mn1 Os1\n1.0\n3.929729 -0.000000 2.268830\n1.309910 3.704984 2.268830\n-0.000000 -0.000000 4.537660\nHf Mn Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.749999 0.750000 Hf\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Os\n","nsites":4,"nelements":3,"elements":["Hf","Mn","Os"],"chemical_system":"Hf-Mn-Os","density":15.13461883600039,"density_atomic":0.0605451139583713,"volume":66.06643771040319,"volume_molar":9.946534685095505,"formula_full":"Hf2 Mn1 Os1","formula_reduced":"Hf2MnOs","formula_anonymous":"ABC2","energy_above_hull":5.161622060344827,"spacegroup":225}]}