{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4569","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=4567","results":[{"id":"jvasp-101667","created_at":"2022-09-04T14:37:04.247781Z","updated_at":"2022-09-04T14:37:04.247806Z","structure_string":"Zr1 Ta1 Cr4\n1.0\n4.291818 -0.000000 2.477882\n1.430606 4.046364 2.477882\n-0.000000 -0.000000 4.955764\nZr Ta Cr\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.249999 Ta\n0.624703 0.624701 0.125893 Cr\n0.624702 0.125893 0.624701 Cr\n0.125894 0.624701 0.624701 Cr\n0.624703 0.624701 0.624701 Cr\n","nsites":6,"nelements":3,"elements":["Zr","Ta","Cr"],"chemical_system":"Cr-Ta-Zr","density":9.264347766929543,"density_atomic":0.06971630943323906,"volume":86.06307546651837,"volume_molar":8.638065911631271,"formula_full":"Zr1 Ta1 Cr4","formula_reduced":"ZrTaCr4","formula_anonymous":"ABC4","energy_above_hull":5.565127216666667,"spacegroup":216},{"id":"jvasp-104120","created_at":"2022-09-04T14:36:53.696214Z","updated_at":"2022-09-04T14:36:53.696246Z","structure_string":"H6 C11 S2 O1\n1.0\n3.814562 0.015314 0.024982\n1.455455 6.343471 2.066416\n-0.589235 -0.320522 9.595124\nH C S O\n6 11 2 1\ndirect\n0.922187 0.180550 0.200188 H\n0.530109 0.114269 0.807601 H\n0.364536 0.284515 0.528790 H\n0.096522 0.886463 0.177055 H\n0.245620 0.733707 0.974296 H\n0.791522 0.328581 0.404129 H\n0.890045 0.418837 0.310760 C\n0.962800 0.334308 0.196182 C\n0.876590 0.698866 0.434805 C\n0.940489 0.617641 0.307040 C\n0.095236 0.446206 0.077281 C\n0.188834 0.397590 0.837694 C\n0.133315 0.648351 0.066006 C\n0.029749 0.560581 0.573538 C\n0.264215 0.361912 0.609075 C\n0.354906 0.268709 0.757871 C\n0.050540 0.733537 0.180964 C\n0.620324 0.937844 0.415247 S\n0.925468 0.636410 0.731031 S\n0.223898 0.328629 0.983203 O\n","nsites":20,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.5454284229065924,"density_atomic":0.08526808754498191,"volume":234.55434003312547,"volume_molar":7.062596257741922,"formula_full":"H6 C11 S2 O1","formula_reduced":"H6C11S2O","formula_anonymous":"AB2C6D11","energy_above_hull":5.5651676750000005,"spacegroup":1},{"id":"jvasp-103773","created_at":"2022-09-04T14:36:33.936405Z","updated_at":"2022-09-04T14:36:33.936418Z","structure_string":"H6 C11 S2 O1\n1.0\n4.079491 0.005666 -0.582214\n-1.839046 5.573456 -0.200315\n-0.108459 0.078547 10.027428\nH C S O\n6 11 2 1\ndirect\n0.246788 0.022395 0.430893 H\n0.678296 0.364227 0.825911 H\n0.426728 0.325610 0.567567 H\n0.535403 0.213027 0.228309 H\n0.880754 0.257464 0.455283 H\n0.910249 0.976541 0.201110 H\n0.897526 0.818894 0.257724 C\n0.087706 0.844385 0.387853 C\n0.483396 0.546216 0.063419 C\n0.690928 0.590801 0.198942 C\n0.089843 0.643979 0.461759 C\n0.510713 0.677489 0.842704 C\n0.887883 0.415842 0.399971 C\n0.284237 0.646938 0.596500 C\n0.553672 0.485040 0.776113 C\n0.419510 0.466476 0.637827 C\n0.690925 0.390162 0.273408 C\n0.159601 0.300910 0.012915 S\n0.324339 0.847199 0.734669 S\n0.598003 0.732852 0.981020 O\n","nsites":20,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.5905999653781557,"density_atomic":0.08776040034376105,"volume":227.89321746094126,"volume_molar":6.862025168995389,"formula_full":"H6 C11 S2 O1","formula_reduced":"H6C11S2O","formula_anonymous":"AB2C6D11","energy_above_hull":5.565466175000001,"spacegroup":1},{"id":"jvasp-104125","created_at":"2022-09-04T14:36:55.765317Z","updated_at":"2022-09-04T14:36:55.765339Z","structure_string":"H8 C13 S3\n1.0\n3.819008 -0.025501 0.136584\n0.829548 5.396287 0.057187\n-0.358050 -0.036011 12.898089\nH C S\n8 13 3\ndirect\n0.916387 0.795141 0.048324 H\n0.381353 0.122672 0.132675 H\n0.497948 0.112234 0.764164 H\n0.932548 0.933862 0.648781 H\n0.386767 0.124280 0.963774 H\n0.492432 0.110503 0.331810 H\n0.930928 0.933416 0.447206 H\n0.671009 0.548665 0.048832 H\n0.945523 0.590643 0.048419 C\n0.201810 0.553491 0.645500 C\n0.200450 0.553067 0.450374 C\n0.215978 0.487952 0.753644 C\n0.109846 0.500510 0.149596 C\n0.213385 0.487104 0.342412 C\n0.293510 0.278949 0.183240 C\n0.045689 0.775309 0.493498 C\n0.046415 0.775511 0.602423 C\n0.357756 0.272742 0.804145 C\n0.353406 0.271355 0.291958 C\n0.297575 0.280213 0.913116 C\n0.111867 0.501181 0.946880 C\n0.011674 0.700503 0.253098 S\n0.012371 0.700821 0.843208 S\n0.356393 0.344385 0.547882 S\n","nsites":24,"nelements":3,"elements":["H","C","S"],"chemical_system":"C-H-S","density":1.6234242253080908,"density_atomic":0.09010671481293409,"volume":266.3508490995945,"volume_molar":6.683342936763655,"formula_full":"H8 C13 S3","formula_reduced":"H8C13S3","formula_anonymous":"A3B8C13","energy_above_hull":5.567689166666667,"spacegroup":6},{"id":"jvasp-103327","created_at":"2022-09-04T14:36:41.136770Z","updated_at":"2022-09-04T14:36:41.136787Z","structure_string":"V2 Os1 W1\n1.0\n3.733688 -0.000000 2.155645\n1.244563 3.520155 2.155645\n0.000000 -0.000000 4.311291\nV Os W\n2 1 1\ndirect\n0.250000 0.250000 0.250001 V\n0.750000 0.749999 0.750002 V\n0.500000 0.499999 0.500001 Os\n0.000000 0.000000 0.000000 W\n","nsites":4,"nelements":3,"elements":["V","Os","W"],"chemical_system":"Os-V-W","density":13.947809841743686,"density_atomic":0.07059157033549188,"volume":56.66398949605019,"volume_molar":8.530963019209393,"formula_full":"V2 Os1 W1","formula_reduced":"V2OsW","formula_anonymous":"ABC2","energy_above_hull":5.56864585,"spacegroup":225},{"id":"jvasp-104031","created_at":"2022-09-04T14:36:37.588127Z","updated_at":"2022-09-04T14:36:37.588150Z","structure_string":"H16 C28 O4\n1.0\n7.638702 0.000000 -1.661408\n0.000000 3.767264 0.000000\n-0.040374 0.000000 15.575730\nH C O\n16 28 4\ndirect\n0.570486 0.255176 0.998396 H\n0.957277 0.178793 0.284453 H\n0.042723 0.678792 0.215547 H\n0.957277 0.321207 0.784453 H\n0.655849 0.941418 0.243516 H\n0.344151 0.058581 0.756484 H\n0.344151 0.441419 0.256484 H\n0.655850 0.558581 0.743516 H\n0.042723 0.821206 0.715547 H\n0.540945 0.030981 0.648552 H\n0.540945 0.469019 0.148552 H\n0.459056 0.530980 0.851448 H\n0.570485 0.244823 0.498396 H\n0.429515 0.755176 0.501604 H\n0.429515 0.744823 0.001604 H\n0.459055 0.969018 0.351447 H\n0.934382 0.157982 0.913859 C\n0.065618 0.842017 0.086141 C\n0.065618 0.657982 0.586141 C\n0.934382 0.342017 0.413859 C\n0.823926 0.140995 0.974537 C\n0.176074 0.859004 0.025463 C\n0.115529 0.016462 0.936710 C\n0.823926 0.359004 0.474537 C\n0.884471 0.983537 0.063290 C\n0.884471 0.516462 0.563290 C\n0.115529 0.483537 0.436710 C\n0.871436 0.191509 0.330899 C\n0.176075 0.640995 0.525463 C\n0.128565 0.808490 0.669101 C\n0.591941 0.074633 0.368373 C\n0.871436 0.308491 0.830899 C\n0.653347 0.273980 0.950836 C\n0.346653 0.726019 0.049164 C\n0.346654 0.773979 0.549164 C\n0.653347 0.226020 0.450836 C\n0.128564 0.691508 0.169101 C\n0.408059 0.574633 0.131627 C\n0.591941 0.425366 0.868373 C\n0.701392 0.441839 0.808243 C\n0.298608 0.558160 0.191757 C\n0.298608 0.941838 0.691757 C\n0.701392 0.058161 0.308243 C\n0.408059 0.925366 0.631627 C\n0.786942 0.527924 0.616445 O\n0.213059 0.027924 0.883555 O\n0.786941 0.972075 0.116445 O\n0.213059 0.472075 0.383554 O\n","nsites":48,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.5436043069151264,"density_atomic":0.10714998627973314,"volume":447.97019268567976,"volume_molar":5.620290742994762,"formula_full":"H16 C28 O4","formula_reduced":"H4C7O","formula_anonymous":"AB4C7","energy_above_hull":5.5759494583333336,"spacegroup":14},{"id":"jvasp-104163","created_at":"2022-09-04T14:36:57.577799Z","updated_at":"2022-09-04T14:36:57.577829Z","structure_string":"H18 C22 S2 N2\n1.0\n3.734629 0.149304 -0.497061\n0.137787 8.433329 -0.570250\n0.093218 -0.009088 13.053073\nH C S N\n18 22 2 2\ndirect\n0.001651 0.950593 0.039938 H\n0.047153 0.959929 0.365080 H\n0.547165 0.959932 0.865075 H\n0.644573 0.709233 0.434345 H\n0.260659 0.666108 0.780640 H\n0.760646 0.666105 0.280638 H\n0.392163 0.423089 0.673855 H\n0.892155 0.423087 0.173852 H\n0.369560 0.078849 0.686810 H\n0.144611 0.709235 0.934350 H\n0.284304 0.513719 0.335099 H\n0.784324 0.513724 0.835100 H\n0.420847 0.251669 0.227488 H\n0.920862 0.251674 0.727487 H\n0.956580 0.998689 0.696116 H\n0.456587 0.998688 0.196115 H\n0.501620 0.950593 0.539932 H\n0.869570 0.078848 0.186815 H\n0.425203 0.538434 0.644595 C\n0.871046 0.826484 0.168234 C\n0.371036 0.826486 0.668232 C\n0.023052 0.546766 0.044870 C\n0.055088 0.698460 0.009556 C\n0.977861 0.834592 0.069628 C\n0.477838 0.834591 0.569624 C\n0.555061 0.698459 0.509553 C\n0.925204 0.538432 0.144594 C\n0.523037 0.546765 0.544869 C\n0.350042 0.676476 0.705266 C\n0.434052 0.411429 0.368011 C\n0.246454 0.981229 0.719612 C\n0.746460 0.981227 0.219614 C\n0.693091 0.153456 0.368735 C\n0.193104 0.153459 0.868734 C\n0.562193 0.410651 0.471119 C\n0.062209 0.410653 0.971119 C\n0.934069 0.411433 0.868011 C\n0.504573 0.268148 0.309875 C\n0.004588 0.268152 0.809874 C\n0.850041 0.676473 0.205266 C\n0.277112 0.225388 -0.001969 S\n0.777099 0.225387 0.498031 S\n0.297937 -0.000682 0.833329 N\n0.797929 -0.000685 0.333332 N\n","nsites":44,"nelements":4,"elements":["H","C","S","N"],"chemical_system":"C-H-N-S","density":1.5123973025588566,"density_atomic":0.10700214010147503,"volume":411.20672874647914,"volume_molar":5.628056368114628,"formula_full":"H18 C22 S2 N2","formula_reduced":"H9C11SN","formula_anonymous":"ABC9D11","energy_above_hull":5.578177420454546,"spacegroup":1},{"id":"jvasp-8511","created_at":"2022-09-04T14:36:53.063041Z","updated_at":"2022-09-04T14:36:53.063064Z","structure_string":"Ta1 Ru3 C1\n1.0\n4.053021 -0.000000 -0.000000\n0.000000 4.053021 -0.000000\n0.000000 0.000000 4.053021\nTa Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 C\n","nsites":5,"nelements":3,"elements":["Ta","Ru","C"],"chemical_system":"C-Ru-Ta","density":12.374902747543874,"density_atomic":0.07509887694095187,"volume":66.57889177132914,"volume_molar":8.018949157834996,"formula_full":"Ta1 Ru3 C1","formula_reduced":"TaRu3C","formula_anonymous":"ABC3","energy_above_hull":5.57824014,"spacegroup":221},{"id":"jvasp-35960","created_at":"2022-09-04T14:37:14.179133Z","updated_at":"2022-09-04T14:37:14.179159Z","structure_string":"Hf1 B12\n1.0\n4.523895 0.000000 2.611872\n1.507965 4.265170 2.611872\n0.000000 0.000000 5.223744\nHf B\n1 12\ndirect\n0.000000 0.000000 0.000000 Hf\n0.839698 0.500000 0.499998 B\n0.500001 0.500000 0.839696 B\n0.839698 0.160303 0.499999 B\n0.500001 0.839697 0.160302 B\n0.500001 0.160303 0.839696 B\n0.500001 0.839697 0.499998 B\n0.839698 0.500000 0.160302 B\n0.160304 0.839697 0.499999 B\n0.500001 0.160303 0.499999 B\n0.160304 0.500000 0.839696 B\n0.500001 0.500000 0.160302 B\n0.160304 0.500000 0.499999 B\n","nsites":13,"nelements":2,"elements":["Hf","B"],"chemical_system":"B-Hf","density":5.0778747463737535,"density_atomic":0.1289770991147408,"volume":100.79308721647492,"volume_molar":4.669155068096681,"formula_full":"Hf1 B12","formula_reduced":"HfB12","formula_anonymous":"AB12","energy_above_hull":5.580394153846154,"spacegroup":225},{"id":"jvasp-16039","created_at":"2022-09-04T14:37:01.137577Z","updated_at":"2022-09-04T14:37:01.137604Z","structure_string":"Ta5 As4\n1.0\n3.353663 -0.000000 0.830105\n1.676832 6.991263 0.415052\n-0.002965 -0.000001 7.201513\nTa As\n5 4\ndirect\n0.693861 0.937551 0.674725 Ta\n0.368588 0.325274 0.937550 Ta\n0.631412 0.674726 0.062448 Ta\n0.306139 0.062449 0.325274 Ta\n0.000000 0.000000 0.000000 Ta\n0.948076 0.766203 0.337642 As\n0.285721 0.662357 0.766202 As\n0.714280 0.337643 0.233796 As\n0.051924 0.233797 0.662357 As\n","nsites":9,"nelements":2,"elements":["Ta","As"],"chemical_system":"As-Ta","density":11.843664122134701,"density_atomic":0.053296592645287584,"volume":168.8663299715797,"volume_molar":11.299297874593996,"formula_full":"Ta5 As4","formula_reduced":"Ta5As4","formula_anonymous":"A4B5","energy_above_hull":5.581127,"spacegroup":87},{"id":"jvasp-93348","created_at":"2022-09-04T14:36:03.544968Z","updated_at":"2022-09-04T14:36:03.544979Z","structure_string":"Pu1 B2 Ru3\n1.0\n-0.000058 -0.000018 2.914915\n5.523503 -0.000041 -0.000055\n-2.761786 4.783409 0.000027\nPu B Ru\n1 2 3\ndirect\n0.000002 0.999999 0.000001 Pu\n0.000001 0.333334 0.666664 B\n1.000000 0.666666 0.333335 B\n0.500000 0.499999 0.500000 Ru\n0.500000 -0.000000 0.500000 Ru\n0.500001 0.499999 1.000000 Ru\n","nsites":6,"nelements":3,"elements":["Pu","B","Ru"],"chemical_system":"B-Pu-Ru","density":12.264701227173683,"density_atomic":0.07790675334183979,"volume":77.01514621810973,"volume_molar":7.729934186290642,"formula_full":"Pu1 B2 Ru3","formula_reduced":"PuB2Ru3","formula_anonymous":"AB2C3","energy_above_hull":5.581347777777777,"spacegroup":191},{"id":"jvasp-123493","created_at":"2022-09-04T14:38:53.713241Z","updated_at":"2022-09-04T14:38:53.713264Z","structure_string":"U3 Ir1\n1.0\n2.948321 0.000000 0.000000\n0.000000 5.488670 0.000000\n0.000000 0.000000 4.916095\nU Ir\n3 1\ndirect\n0.500000 0.372500 0.250000 U\n0.500000 0.606039 0.750001 U\n0.000000 0.888501 0.250000 U\n0.000000 0.132960 0.750001 Ir\n","nsites":4,"nelements":2,"elements":["U","Ir"],"chemical_system":"Ir-U","density":18.917367997867927,"density_atomic":0.050280297503023375,"volume":79.55402411370932,"volume_molar":11.977138280929795,"formula_full":"U3 Ir1","formula_reduced":"U3Ir","formula_anonymous":"AB3","energy_above_hull":5.582904775,"spacegroup":25}]}