{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=116","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=114","results":[{"id":"jvasp-117941","created_at":"2022-09-04T14:38:54.288360Z","updated_at":"2022-09-04T14:38:54.288389Z","structure_string":"C2 S1\n1.0\n3.768559 0.000000 0.000000\n0.000000 3.792557 0.000000\n0.000000 0.000000 6.691862\nC S\n2 1\ndirect\n0.026298 0.000000 0.245904 C\n0.026298 0.000000 0.754096 C\n0.073905 0.000000 0.000000 S\n","nsites":3,"nelements":2,"elements":["C","S"],"chemical_system":"C-S","density":0.9737607170742895,"density_atomic":0.03136655645650152,"volume":95.64326910288469,"volume_molar":19.199240976137684,"formula_full":"C2 S1","formula_reduced":"C2S","formula_anonymous":"AB2","energy_above_hull":5.185033333333332,"spacegroup":25},{"id":"jvasp-101800","created_at":"2022-09-04T14:37:08.371057Z","updated_at":"2022-09-04T14:37:08.371074Z","structure_string":"H8 C14 S4 O2\n1.0\n3.962193 0.033696 0.626790\n0.235164 8.165744 2.367166\n0.098067 -0.078464 10.183347\nH C S O\n8 14 4 2\ndirect\n0.732287 0.079810 0.854766 H\n0.232283 0.579810 0.354766 H\n0.630251 0.310159 0.468843 H\n0.130252 0.810159 0.968843 H\n0.937631 0.144592 0.295314 H\n0.437632 0.644592 0.795314 H\n0.409882 0.193748 0.771502 H\n0.909878 0.693748 0.271501 H\n0.816275 0.334836 0.772409 C\n0.316272 0.834835 0.272408 C\n0.810063 0.343355 0.918651 C\n0.310062 0.843354 0.418652 C\n0.188060 0.676247 0.261787 C\n0.688063 0.176247 0.761787 C\n0.323632 0.623707 0.134084 C\n0.613735 0.468098 0.971465 C\n0.113736 0.968096 0.471465 C\n0.280117 0.697441 0.998439 C\n0.780118 0.197441 0.498439 C\n0.441953 0.608649 0.905981 C\n0.941951 0.108649 0.405981 C\n0.823633 0.123708 0.634084 C\n0.065982 0.945879 0.648102 S\n0.565981 0.445880 0.148101 S\n0.487374 0.982233 0.147749 S\n0.987376 0.482233 0.647749 S\n0.487269 0.736685 0.489151 O\n0.987270 0.236686 0.989152 O\n","nsites":28,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.6950368801297193,"density_atomic":0.08494523091353896,"volume":329.6241554572928,"volume_molar":7.089439507356926,"formula_full":"H8 C14 S4 O2","formula_reduced":"H4C7S2O","formula_anonymous":"AB2C4D7","energy_above_hull":5.184882392857143,"spacegroup":1},{"id":"jvasp-42038","created_at":"2022-09-04T14:37:39.201864Z","updated_at":"2022-09-04T14:37:39.201890Z","structure_string":"Tc6 Ir2\n1.0\n2.765715 -4.790359 0.000000\n2.765715 4.790359 0.000000\n-0.000000 0.000000 4.363038\nTc Ir\n6 2\ndirect\n0.838942 0.677885 0.250000 Tc\n0.322113 0.161057 0.250000 Tc\n0.838942 0.161056 0.250000 Tc\n0.161057 0.322113 0.750000 Tc\n0.677885 0.838942 0.750000 Tc\n0.161056 0.838942 0.750000 Tc\n0.666666 0.333332 0.750000 Ir\n0.333332 0.666666 0.250000 Ir\n","nsites":8,"nelements":2,"elements":["Tc","Ir"],"chemical_system":"Ir-Tc","density":13.967373753024404,"density_atomic":0.06919831335992799,"volume":115.60975422029168,"volume_molar":8.702727664295006,"formula_full":"Tc6 Ir2","formula_reduced":"Tc3Ir","formula_anonymous":"AB3","energy_above_hull":5.1844214,"spacegroup":194},{"id":"jvasp-104155","created_at":"2022-09-04T14:36:51.858940Z","updated_at":"2022-09-04T14:36:51.858967Z","structure_string":"H8 C14 S4 O2\n1.0\n4.541201 -0.053678 -0.682651\n-0.695959 7.288022 -1.614742\n0.148057 -0.002121 9.980312\nH C S O\n8 14 4 2\ndirect\n0.632228 0.848090 0.829203 H\n0.132230 0.348091 0.329203 H\n0.313435 0.580644 0.252161 H\n0.813435 0.080644 0.752161 H\n0.579852 0.782576 0.112444 H\n0.079853 0.282577 0.612444 H\n0.358693 0.663280 0.751694 H\n0.858693 0.163280 0.251694 H\n0.696035 0.686363 0.624613 C\n0.196035 0.186364 0.124614 C\n0.254294 0.081020 0.347337 C\n0.754295 0.581020 0.847337 C\n0.097108 0.206641 0.264992 C\n0.597108 0.706641 0.764992 C\n0.851864 0.837865 0.590006 C\n0.111118 0.029468 0.460084 C\n0.611118 0.529468 0.960083 C\n0.031658 0.134241 0.579503 C\n0.531658 0.634241 0.079504 C\n0.889723 0.024967 0.654684 C\n0.389724 0.524968 0.154684 C\n0.351864 0.337865 0.090006 C\n0.508048 0.298304 0.938057 S\n0.008048 0.798304 0.438058 S\n0.627610 0.482869 0.513945 S\n0.127609 0.982869 0.013945 S\n0.975299 0.509428 0.815245 O\n0.475300 0.009427 0.315245 O\n","nsites":28,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.689664736701121,"density_atomic":0.08467601083379178,"volume":330.67216705520565,"volume_molar":7.111979769359582,"formula_full":"H8 C14 S4 O2","formula_reduced":"H4C7S2O","formula_anonymous":"AB2C4D7","energy_above_hull":5.184398107142857,"spacegroup":1},{"id":"jvasp-74786","created_at":"2022-09-04T14:36:21.955360Z","updated_at":"2022-09-04T14:36:21.955388Z","structure_string":"Hf2 Be1 W1\n1.0\n-2.306154 2.306154 3.260275\n2.306154 -2.306154 3.260275\n2.306154 2.306154 -3.260275\nHf Be W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.499999 0.499999 0.000000 Hf\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 W\n","nsites":4,"nelements":3,"elements":["Hf","Be","W"],"chemical_system":"Be-Hf-W","density":13.164016493187708,"density_atomic":0.05767255021557389,"volume":69.35708556407552,"volume_molar":10.441953299255669,"formula_full":"Hf2 Be1 W1","formula_reduced":"Hf2BeW","formula_anonymous":"ABC2","energy_above_hull":5.180233025,"spacegroup":225},{"id":"jvasp-79113","created_at":"2022-09-04T14:37:19.123107Z","updated_at":"2022-09-04T14:37:19.123130Z","structure_string":"V2 Re1 Tc1\n1.0\n-0.000000 3.030564 3.030564\n3.030564 0.000000 3.030564\n3.030564 3.030564 -0.000000\nV Re Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.499999 0.499999 0.499999 V\n0.250001 0.250001 0.250001 Re\n0.749999 0.749999 0.749999 Tc\n","nsites":4,"nelements":3,"elements":["V","Re","Tc"],"chemical_system":"Re-Tc-V","density":11.516944531837453,"density_atomic":0.0718554338312887,"volume":55.66732794894409,"volume_molar":8.380912116040586,"formula_full":"V2 Re1 Tc1","formula_reduced":"V2ReTc","formula_anonymous":"ABC2","energy_above_hull":5.180201974999999,"spacegroup":225},{"id":"jvasp-112251","created_at":"2022-09-04T14:38:47.479913Z","updated_at":"2022-09-04T14:38:47.479939Z","structure_string":"H16 C18 O6\n1.0\n4.559566 -0.062720 0.201328\n1.373165 8.239663 0.318597\n-0.221742 0.152841 9.460873\nH C O\n16 18 6\ndirect\n0.739910 0.145065 0.911368 H\n0.629007 0.261131 0.477345 H\n0.370995 0.738869 0.522655 H\n-0.014397 0.309398 0.524224 H\n0.933026 0.238379 0.350770 H\n0.066976 0.761621 0.649230 H\n0.699393 0.955873 0.141153 H\n0.300609 0.044126 0.858847 H\n0.014399 0.690602 0.475776 H\n0.215363 0.001466 0.681868 H\n0.403093 0.006444 0.266710 H\n0.596909 0.993557 0.733290 H\n0.443670 0.274843 0.257556 H\n0.556333 0.725156 0.742444 H\n0.260093 0.854935 0.088632 H\n0.784638 -0.001467 0.318132 H\n0.847361 0.384231 0.933427 C\n0.828468 0.309842 0.438236 C\n0.171534 0.690157 0.561765 C\n0.632303 0.944732 0.253302 C\n0.367700 0.055267 0.746698 C\n0.948642 0.670337 0.948998 C\n0.051360 0.329662 0.051002 C\n0.152641 0.615768 0.066573 C\n0.203461 0.452066 0.114684 C\n0.501598 0.679363 0.236909 C\n0.404437 0.402624 0.223985 C\n0.595565 0.597376 0.776015 C\n0.553599 0.513561 0.285915 C\n0.446403 0.486438 0.714085 C\n0.498405 0.320637 0.763092 C\n0.302246 0.728818 0.128570 C\n0.697757 0.271181 0.871430 C\n0.796541 0.547933 0.885316 C\n0.247022 0.522925 0.609331 O\n0.092185 0.185341 0.096174 O\n0.907818 0.814658 0.903826 O\n0.340016 0.222180 0.697410 O\n0.659987 0.777820 0.302590 O\n0.752981 0.477075 0.390669 O\n","nsites":40,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.5294946893013155,"density_atomic":0.11221909613466408,"volume":356.4455727927053,"volume_molar":5.3664135315912445,"formula_full":"H16 C18 O6","formula_reduced":"H8(C3O)3","formula_anonymous":"A3B8C9","energy_above_hull":5.178639525,"spacegroup":2},{"id":"jvasp-97893","created_at":"2022-09-04T14:35:50.592006Z","updated_at":"2022-09-04T14:35:50.592031Z","structure_string":"Yb4 C6 N12\n1.0\n6.147548 0.167306 9.253861\n2.917609 5.413677 9.253861\n0.271754 0.167306 11.106414\nYb C N\n4 6 12\ndirect\n0.165249 0.165249 0.165249 Yb\n0.665248 0.665250 0.665248 Yb\n0.834750 0.834753 0.834750 Yb\n0.334751 0.334752 0.334751 Yb\n0.057844 0.750001 0.442155 C\n0.750000 0.442156 0.057844 C\n0.557845 0.942156 0.249999 C\n0.942154 0.250001 0.557844 C\n0.249999 0.557846 0.942154 C\n0.442154 0.057846 0.749999 C\n0.335036 0.570010 0.959126 N\n0.929991 0.164965 0.540872 N\n0.164962 0.540874 0.929991 N\n0.959126 0.335038 0.570007 N\n0.570008 0.959128 0.335036 N\n0.835037 0.459128 0.070007 N\n0.540873 0.929993 0.164962 N\n0.040872 0.664964 0.429991 N\n0.664963 0.429993 0.040872 N\n0.459126 0.070009 0.835036 N\n0.429991 0.040874 0.664963 N\n0.070008 0.835038 0.459127 N\n","nsites":22,"nelements":3,"elements":["Yb","C","N"],"chemical_system":"C-N-Yb","density":4.474161753018279,"density_atomic":0.06358101216253847,"volume":346.01525285189246,"volume_molar":9.47160253536858,"formula_full":"Yb4 C6 N12","formula_reduced":"Yb2(CN2)3","formula_anonymous":"A2B3C6","energy_above_hull":5.177625536363637,"spacegroup":167},{"id":"jvasp-112236","created_at":"2022-09-04T14:38:44.643292Z","updated_at":"2022-09-04T14:38:44.643319Z","structure_string":"H24 C20 O2\n1.0\n6.252340 -0.005683 -0.783800\n-2.658177 6.767634 -1.351628\n-0.045809 0.099452 9.226217\nH C O\n24 20 2\ndirect\n0.817657 0.565532 0.833031 H\n0.616666 0.137973 0.985595 H\n0.777856 0.391118 0.002059 H\n0.222144 0.608882 -0.002060 H\n0.536088 0.318624 0.090780 H\n0.463911 0.681375 0.909220 H\n0.391564 0.209636 0.608102 H\n0.608436 0.790363 0.391898 H\n0.452850 0.297794 0.805818 H\n0.547149 0.702206 0.194182 H\n0.394307 0.447063 0.685376 H\n0.605692 0.552937 0.314624 H\n0.383333 0.862026 0.014405 H\n0.156429 0.928487 0.175509 H\n0.843570 0.071513 0.824491 H\n0.725124 0.745546 0.621012 H\n0.274875 0.254454 0.378988 H\n0.726216 0.512253 0.538442 H\n0.182342 0.434467 0.166969 H\n0.256599 0.881134 0.411523 H\n0.743400 0.118866 0.588477 H\n0.851016 0.850853 0.077552 H\n0.148983 0.149146 0.922448 H\n0.273783 0.487746 0.461558 H\n0.684993 0.284588 0.062647 C\n0.921748 0.188953 0.577298 C\n0.315006 0.715412 0.937353 C\n0.347420 0.295617 0.700994 C\n0.652579 0.704383 0.299006 C\n0.025779 0.140559 0.824493 C\n0.974220 0.859441 0.175507 C\n0.095921 0.207548 0.704646 C\n0.904078 0.792451 0.295354 C\n0.078251 0.811047 0.422702 C\n0.070573 0.364106 0.237905 C\n0.049671 0.756036 0.553828 C\n0.164576 0.342568 0.389153 C\n0.835423 0.657431 0.610847 C\n0.929426 0.635894 0.762095 C\n0.838641 0.289065 0.201470 C\n0.161358 0.710935 0.798530 C\n0.749597 0.208894 0.326641 C\n0.250402 0.791106 0.673359 C\n0.950328 0.243964 0.446172 C\n0.457900 0.871962 0.670923 O\n0.542099 0.128038 0.329077 O\n","nsites":46,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.2586066464139616,"density_atomic":0.11762933250304722,"volume":391.05892230416555,"volume_molar":5.119591033846932,"formula_full":"H24 C20 O2","formula_reduced":"H12C10O","formula_anonymous":"AB10C12","energy_above_hull":5.17745754347826,"spacegroup":2},{"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-20757","created_at":"2022-09-04T14:38:33.753192Z","updated_at":"2022-09-04T14:38:33.753227Z","structure_string":"Na2 B30\n1.0\n5.344620 -0.000000 2.349816\n2.147399 6.525366 2.368811\n-0.005933 -0.022016 7.266530\nNa B\n2 30\ndirect\n0.750000 0.912557 0.587444 Na\n0.250000 0.087443 0.412557 Na\n0.665970 0.546206 0.616917 B\n0.829092 0.453794 0.383083 B\n0.834031 0.883083 0.953794 B\n0.670908 0.116917 0.046206 B\n0.334031 0.453794 0.383083 B\n0.170908 0.546206 0.616917 B\n0.165970 0.116917 0.046206 B\n0.329093 0.883083 0.953794 B\n0.613912 0.712460 0.381153 B\n0.707525 0.287540 0.618848 B\n0.886089 0.118847 0.787541 B\n0.792475 0.881153 0.212460 B\n0.386088 0.287540 0.618847 B\n0.292476 0.712460 0.381153 B\n0.250000 0.494356 0.005645 B\n0.645665 0.750880 0.957791 B\n0.354335 0.249120 0.042209 B\n0.854336 0.542209 0.749120 B\n0.145664 0.457791 0.250880 B\n0.664786 0.286885 0.383545 B\n0.335215 0.713115 0.616455 B\n0.835215 0.116455 0.213115 B\n0.164786 0.883545 0.786885 B\n0.603042 0.547812 0.246104 B\n0.396959 0.452188 0.753896 B\n0.896959 0.253895 0.952189 B\n0.103042 0.746105 0.047811 B\n0.750001 0.505644 0.994356 B\n0.207525 0.118847 0.787540 B\n0.113912 0.881153 0.212460 B\n","nsites":32,"nelements":2,"elements":["Na","B"],"chemical_system":"B-Na","density":2.423942198555396,"density_atomic":0.12614157270147733,"volume":253.68321731432818,"volume_molar":4.77411263473923,"formula_full":"Na2 B30","formula_reduced":"NaB15","formula_anonymous":"AB15","energy_above_hull":5.177404859375001,"spacegroup":74},{"id":"jvasp-97934","created_at":"2022-09-04T14:36:08.316608Z","updated_at":"2022-09-04T14:36:08.316622Z","structure_string":"K1 Mn1 H24 C14 N8\n1.0\n-4.327790 4.327790 6.055276\n4.327790 -4.327790 6.055276\n4.327790 4.327790 -6.055276\nK Mn H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.461635 0.184195 0.385878 H\n0.798317 0.075757 0.614122 H\n0.075757 0.461635 0.277440 H\n0.538365 0.815805 0.614122 H\n0.201683 0.924244 0.385878 H\n0.815805 0.201683 0.277440 H\n0.924244 0.538365 0.722560 H\n0.627654 0.293173 0.673194 H\n0.619979 -0.045540 0.326806 H\n0.293173 0.619979 0.665519 H\n-0.045540 0.627654 0.334481 H\n0.184195 0.798317 0.722560 H\n0.380021 0.045540 0.673194 H\n0.706827 0.380021 0.334481 H\n0.045540 0.372346 0.665519 H\n0.596351 0.433777 0.567341 H\n0.866436 0.029009 0.432659 H\n0.433777 0.866436 0.837427 H\n0.029009 0.596351 0.162573 H\n0.403650 0.566223 0.432659 H\n0.133564 -0.029009 0.567341 H\n0.372347 0.706827 0.326806 H\n0.566223 0.133564 0.162573 H\n-0.029009 0.403649 0.837427 H\n0.403310 0.706269 0.465979 C\n0.062669 0.596690 0.302959 C\n0.596690 0.293731 0.534021 C\n0.759710 0.062669 0.465979 C\n0.240290 0.937331 0.534021 C\n0.293731 0.759710 0.697041 C\n0.706269 0.240290 0.302959 C\n0.134579 0.185033 0.319612 C\n0.865422 0.814967 0.680388 C\n0.814967 0.134579 0.949546 C\n0.185033 0.865422 0.050454 C\n0.163788 0.163788 -0.000000 C\n0.836213 0.836213 -0.000000 C\n0.937331 0.403310 0.697041 C\n0.750000 0.250000 0.500000 N\n0.739270 0.739270 -0.000000 N\n0.260730 0.260730 0.000000 N\n0.292013 0.781802 0.073814 N\n0.707988 0.218198 0.926186 N\n0.218198 0.292012 0.510210 N\n0.781802 0.707988 0.489790 N\n0.250000 0.750000 0.500000 N\n","nsites":48,"nelements":5,"elements":["K","Mn","H","C","N"],"chemical_system":"C-H-K-Mn-N","density":1.4583950068850353,"density_atomic":0.10580713253539828,"volume":453.6556170628797,"volume_molar":5.691620796911082,"formula_full":"K1 Mn1 H24 C14 N8","formula_reduced":"KMnH24(C7N4)2","formula_anonymous":"ABC8D14E24","energy_above_hull":5.177359192528736,"spacegroup":87}]}