{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4594","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density&page=4592","results":[{"id":"jvasp-117977","created_at":"2022-09-04T14:38:49.270126Z","updated_at":"2022-09-04T14:38:49.270154Z","structure_string":"Ca1 Ga1 N1\n1.0\n4.857030 -0.000000 -0.000000\n-0.000000 4.857030 0.000000\n-0.000000 -0.000000 6.815813\nCa Ga N\n1 1 1\ndirect\n0.000000 0.000000 0.414806 Ca\n0.000000 0.000000 -0.031496 Ga\n0.000000 0.000000 0.712324 N\n","nsites":3,"nelements":3,"elements":["Ca","Ga","N"],"chemical_system":"Ca-Ga-N","density":1.2786082865408257,"density_atomic":0.01865786800282747,"volume":160.7900752403957,"volume_molar":32.27668219695513,"formula_full":"Ca1 Ga1 N1","formula_reduced":"CaGaN","formula_anonymous":"ABC","energy_above_hull":1.4521986649999996,"spacegroup":99},{"id":"jvasp-70889","created_at":"2022-09-04T14:35:54.197450Z","updated_at":"2022-09-04T14:35:54.197475Z","structure_string":"Li2 Be1 Cl1\n1.0\n3.159270 0.000000 0.000000\n0.000000 3.159270 0.000000\n-0.000000 0.000000 7.594051\nLi Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.841864 Li\n0.500000 0.500000 0.259836 Li\n0.000000 0.000000 0.451006 Be\n0.500000 0.500000 0.947293 Cl\n","nsites":4,"nelements":3,"elements":["Li","Be","Cl"],"chemical_system":"Be-Cl-Li","density":1.2782682053008194,"density_atomic":0.05277314722081587,"volume":75.79612379877616,"volume_molar":11.4113731644654,"formula_full":"Li2 Be1 Cl1","formula_reduced":"Li2BeCl","formula_anonymous":"ABC2","energy_above_hull":0.731455041875,"spacegroup":99},{"id":"jvasp-24023","created_at":"2022-09-04T14:37:34.297274Z","updated_at":"2022-09-04T14:37:34.297306Z","structure_string":"K2 B12 H12\n1.0\n6.407801 -0.000000 3.699546\n2.135934 6.041333 3.699546\n-0.000000 -0.000000 7.399091\nK B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.222298 0.777701 0.946594 B\n0.053406 0.777701 0.222299 B\n0.222298 0.946593 0.053408 B\n0.053407 0.222298 0.946593 B\n0.946593 0.053407 0.222299 B\n0.777701 0.222298 0.053407 B\n0.946593 0.777701 0.053408 B\n0.777701 0.946593 0.222300 B\n0.053406 0.946593 0.777702 B\n0.222299 0.053407 0.777702 B\n0.946593 0.222298 0.777702 B\n0.777701 0.053407 0.946594 B\n0.095057 0.620404 0.379597 H\n0.379596 0.904942 0.095058 H\n0.095057 0.379596 0.904943 H\n0.904943 0.095057 0.379597 H\n0.620404 0.379596 0.095058 H\n0.904943 0.620404 0.095058 H\n0.620404 0.904942 0.379597 H\n0.095057 0.904942 0.620405 H\n0.379596 0.095057 0.620404 H\n0.620404 0.095057 0.904943 H\n0.379596 0.620404 0.904944 H\n0.904943 0.379596 0.620405 H\n","nsites":26,"nelements":3,"elements":["K","B","H"],"chemical_system":"B-H-K","density":1.275553729966429,"density_atomic":0.09077226840006716,"volume":286.43109242801256,"volume_molar":6.6343398332387,"formula_full":"K2 B12 H12","formula_reduced":"K(BH)6","formula_anonymous":"AB6C6","energy_above_hull":3.880834115384616,"spacegroup":202},{"id":"jvasp-30495","created_at":"2022-09-04T14:38:07.526017Z","updated_at":"2022-09-04T14:38:07.526040Z","structure_string":"B2 C3 N6\n1.0\n2.412769 -4.179037 3.049831\n2.412769 4.179037 3.049831\n-4.825537 0.000000 3.049831\nB C N\n2 3 6\ndirect\n0.314433 0.314433 0.314433 B\n0.685567 0.685567 0.685567 B\n-0.000000 0.580319 0.419681 C\n0.419681 -0.000000 0.580320 C\n0.580319 0.419680 -0.000000 C\n0.148540 0.490885 0.308310 N\n0.490885 0.308310 0.148540 N\n0.851460 0.691690 0.509115 N\n0.509115 0.851460 0.691690 N\n0.691690 0.509115 0.851460 N\n0.308310 0.148540 0.490885 N\n","nsites":11,"nelements":3,"elements":["B","C","N"],"chemical_system":"B-C-N","density":1.2752124733341899,"density_atomic":0.05961749991056891,"volume":184.50958219484033,"volume_molar":10.101297050419255,"formula_full":"B2 C3 N6","formula_reduced":"B2(CN2)3","formula_anonymous":"A2B3C6","energy_above_hull":6.365069515151516,"spacegroup":155},{"id":"jvasp-39265","created_at":"2022-09-04T14:37:50.851200Z","updated_at":"2022-09-04T14:37:50.851220Z","structure_string":"K3 Sc1\n1.0\n0.000000 4.727501 4.727501\n4.727501 0.000000 4.727501\n4.727501 4.727501 -0.000000\nK Sc\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.500001 0.500001 K\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.749999 Sc\n","nsites":4,"nelements":2,"elements":["K","Sc"],"chemical_system":"K-Sc","density":1.2750026652059812,"density_atomic":0.018929324118018,"volume":211.3123519393159,"volume_molar":31.81381819263049,"formula_full":"K3 Sc1","formula_reduced":"K3Sc","formula_anonymous":"AB3","energy_above_hull":0.0986598124999999,"spacegroup":225},{"id":"jvasp-79062","created_at":"2022-09-04T14:37:10.036460Z","updated_at":"2022-09-04T14:37:10.036486Z","structure_string":"Na3 Be1\n1.0\n-2.623236 2.623236 3.696616\n2.623236 -2.623236 3.696616\n2.623236 2.623236 -3.696616\nNa Be\n3 1\ndirect\n0.750002 0.250000 0.500002 Na\n0.250000 0.750002 0.500002 Na\n0.500001 0.500001 0.000000 Na\n0.000000 0.000000 0.000000 Be\n","nsites":4,"nelements":2,"elements":["Na","Be"],"chemical_system":"Be-Na","density":1.2726282743751811,"density_atomic":0.03931161931795038,"volume":101.75108706787688,"volume_molar":15.318984220144255,"formula_full":"Na3 Be1","formula_reduced":"Na3Be","formula_anonymous":"AB3","energy_above_hull":0.040828275,"spacegroup":225},{"id":"jvasp-65063","created_at":"2022-09-04T14:35:44.933393Z","updated_at":"2022-09-04T14:35:44.933430Z","structure_string":"K4 Sr1 Be1\n1.0\n0.000000 5.488627 5.488627\n5.488627 -0.000000 5.488627\n5.488627 5.488627 0.000000\nK Sr Be\n4 1 1\ndirect\n0.122149 0.625951 0.625951 K\n0.625951 0.625951 0.625951 K\n0.625951 0.122149 0.625951 K\n0.625951 0.625951 0.122149 K\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n","nsites":6,"nelements":3,"elements":["K","Sr","Be"],"chemical_system":"Be-K-Sr","density":1.2705508115248558,"density_atomic":0.018143877357835392,"volume":330.69006594717274,"volume_molar":33.19103541779261,"formula_full":"K4 Sr1 Be1","formula_reduced":"K4SrBe","formula_anonymous":"ABC4","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-112223","created_at":"2022-09-04T14:38:42.169614Z","updated_at":"2022-09-04T14:38:42.169623Z","structure_string":"H22 C30\n1.0\n5.950730 0.031227 -0.317294\n-0.500959 7.932690 -2.347649\n0.111667 0.216127 10.518410\nH C\n22 30\ndirect\n0.813405 0.268505 0.046724 H\n0.250759 0.770632 0.230721 H\n0.749241 0.229369 0.769280 H\n0.171583 0.562227 0.357921 H\n0.828418 0.437774 0.642079 H\n0.214427 0.570233 0.653432 H\n0.481954 0.505501 0.206607 H\n0.518046 0.494500 0.793394 H\n0.559575 0.717311 0.084053 H\n0.440426 0.282690 0.915948 H\n0.432134 0.155178 0.088260 H\n0.785574 0.429768 0.346569 H\n0.179463 0.254573 0.269381 H\n0.820538 0.745428 0.730620 H\n0.295444 0.247684 0.498962 H\n0.704556 0.752317 0.501039 H\n0.665656 0.138641 0.542279 H\n0.334345 0.861360 0.457722 H\n0.917718 0.037644 0.360923 H\n0.082283 0.962357 0.639078 H\n0.186595 0.731496 0.953277 H\n0.567866 0.844823 0.911740 H\n0.515880 0.848162 0.812081 C\n0.484120 0.151839 0.187919 C\n0.089067 0.241624 0.850633 C\n0.910933 0.758377 0.149368 C\n0.305708 0.317157 0.856344 C\n0.694292 0.682844 0.143657 C\n0.962313 0.405641 0.703456 C\n0.650239 0.564379 0.213129 C\n0.178623 0.479165 0.709009 C\n0.821378 0.520835 0.290991 C\n0.037687 0.594360 0.296545 C\n0.341497 0.208210 0.290392 C\n0.349761 0.435622 0.786871 C\n0.658503 0.791791 0.709609 C\n0.957510 0.886116 0.076435 C\n0.593831 0.795707 0.581515 C\n0.614264 0.142904 0.442882 C\n0.385736 0.857097 0.557118 C\n0.755553 0.084517 0.340396 C\n0.244448 0.915484 0.659604 C\n0.692492 0.088872 0.211010 C\n0.307509 0.911129 0.788991 C\n0.108774 0.851986 0.975878 C\n0.891227 0.148015 0.024122 C\n0.917382 0.288814 0.774838 C\n0.042490 0.113885 0.923565 C\n0.846650 0.037966 0.102032 C\n0.153350 0.962035 0.897969 C\n0.406169 0.204294 0.418485 C\n0.082619 0.711187 0.225162 C\n","nsites":52,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.2702579469378514,"density_atomic":0.10399671764967897,"volume":500.0157810284556,"volume_molar":5.7907027222590335,"formula_full":"H22 C30","formula_reduced":"H11C15","formula_anonymous":"A11B15","energy_above_hull":5.847772692307691,"spacegroup":2},{"id":"jvasp-101984","created_at":"2022-09-04T14:37:07.649796Z","updated_at":"2022-09-04T14:37:07.649824Z","structure_string":"H28 C32\n1.0\n8.003235 0.000000 -2.795633\n0.000000 5.602917 0.000000\n-0.028679 0.000000 12.044330\nH C\n28 32\ndirect\n0.253256 0.778713 0.103663 H\n0.631897 0.479111 0.520989 H\n0.368103 0.979112 0.479011 H\n0.694114 0.487415 0.336209 H\n0.305885 0.987415 0.663791 H\n0.836327 0.836494 0.284484 H\n0.163672 0.336493 0.715516 H\n0.085388 0.685114 0.577395 H\n0.850283 0.179544 0.607414 H\n0.149716 0.679544 0.392587 H\n0.563939 0.676458 0.793658 H\n0.436060 0.176457 0.206343 H\n0.511735 0.553822 0.642820 H\n0.488265 0.053822 0.357180 H\n0.914611 0.185113 0.422605 H\n0.008147 0.849235 0.081135 H\n0.991853 0.349235 0.918865 H\n0.746743 0.278713 0.896337 H\n0.443850 0.656768 0.214776 H\n0.556150 0.156767 0.785224 H\n0.997382 0.658516 0.761908 H\n0.693882 0.157098 0.158528 H\n0.002617 0.158516 0.238092 H\n0.306117 0.657099 0.841472 H\n0.540666 0.500134 0.037464 H\n0.459333 0.000134 0.962536 H\n0.703704 0.841681 0.997163 H\n0.296295 0.341681 0.002837 H\n0.735274 0.830061 0.578750 C\n0.301955 0.328166 0.309272 C\n0.698045 0.828166 0.690728 C\n0.264725 0.330061 0.421251 C\n0.585380 0.677791 0.709442 C\n0.184742 0.527024 0.451818 C\n0.726908 0.640775 0.394886 C\n0.148915 0.530809 0.556888 C\n0.851084 0.030809 0.443112 C\n0.193032 0.337526 0.634041 C\n0.806967 0.837526 0.365959 C\n0.273091 0.140775 0.605114 C\n0.414620 0.177790 0.290559 C\n0.815257 0.027023 0.548182 C\n0.058675 0.194458 0.902525 C\n0.691634 0.154509 0.824532 C\n0.232509 0.191548 0.949234 C\n0.767490 0.691549 0.050766 C\n0.323193 0.999768 0.927095 C\n0.676806 0.499768 0.072905 C\n0.237418 0.808476 0.859409 C\n0.762582 0.308475 0.140591 C\n0.063034 0.809795 0.813814 C\n0.936966 0.309794 0.186186 C\n0.970078 0.003472 0.833646 C\n0.029922 0.503473 0.166354 C\n0.784676 0.004031 0.784638 C\n0.215323 0.504032 0.215362 C\n0.308352 0.136497 0.500280 C\n0.308365 0.654509 0.175468 C\n0.941324 0.694459 0.097475 C\n0.691648 0.636497 0.499720 C\n","nsites":60,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.2695217838546333,"density_atomic":0.11118602990921175,"volume":539.6361399808287,"volume_molar":5.41627465691269,"formula_full":"H28 C32","formula_reduced":"H7C8","formula_anonymous":"A7B8","energy_above_hull":5.490373333333333,"spacegroup":4},{"id":"jvasp-118022","created_at":"2022-09-04T14:38:49.543664Z","updated_at":"2022-09-04T14:38:49.543696Z","structure_string":"Mn1 H1 Cl1\n1.0\n4.135054 -0.000000 -0.000000\n0.000000 4.135054 0.000000\n-0.000000 0.000000 6.992375\nMn H Cl\n1 1 1\ndirect\n0.000000 0.000000 -0.010079 Mn\n0.000000 0.000000 0.756626 H\n0.000000 0.000000 0.300024 Cl\n","nsites":3,"nelements":3,"elements":["Mn","H","Cl"],"chemical_system":"Cl-H-Mn","density":1.2694143051062252,"density_atomic":0.025091936078116453,"volume":119.56032370959227,"volume_molar":24.000303289677667,"formula_full":"Mn1 H1 Cl1","formula_reduced":"MnHCl","formula_anonymous":"ABC","energy_above_hull":2.18029710295977,"spacegroup":99},{"id":"jvasp-4573","created_at":"2022-09-04T14:37:55.501967Z","updated_at":"2022-09-04T14:37:55.501990Z","structure_string":"B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n","nsites":15,"nelements":2,"elements":["B","C"],"chemical_system":"B-C","density":1.2682739451561178,"density_atomic":0.06911379685900111,"volume":217.03336644348255,"volume_molar":8.713369882262084,"formula_full":"B12 C3","formula_reduced":"B4C","formula_anonymous":"AB4","energy_above_hull":5.286978066666668,"spacegroup":166},{"id":"jvasp-103793","created_at":"2022-09-04T14:36:42.116052Z","updated_at":"2022-09-04T14:36:42.116075Z","structure_string":"H18 C16 N2\n1.0\n5.260260 -0.023842 -1.056874\n-1.461076 6.735197 -1.960450\n-0.355180 -0.035289 8.934371\nH C N\n18 16 2\ndirect\n0.582699 0.359713 0.261419 H\n0.727836 0.069615 0.118191 H\n0.314316 0.538746 0.644874 H\n0.314356 0.538729 0.144871 H\n0.452554 0.244772 0.001855 H\n0.452565 0.244803 0.501881 H\n0.820832 0.799957 0.263557 H\n0.820738 0.799961 0.763506 H\n0.374013 0.943779 0.789782 H\n0.727791 0.069638 0.618197 H\n0.641204 0.607781 0.005185 H\n0.641149 0.607745 0.505147 H\n0.180560 0.937683 0.597817 H\n0.180646 0.937685 0.097850 H\n0.071342 0.668132 0.279110 H\n0.071248 0.668137 0.779097 H\n0.582705 0.359752 0.761447 H\n0.374077 0.943807 0.289829 H\n0.856659 0.171488 0.734735 C\n0.856686 0.171473 0.234731 C\n0.774984 0.335103 0.813588 C\n0.774982 0.335079 0.313572 C\n0.973274 0.754315 0.708193 C\n0.973351 0.754320 0.208225 C\n0.100182 0.132623 0.802008 C\n0.100216 0.132628 0.302019 C\n0.260899 0.269659 0.448577 C\n0.934366 0.469811 0.464703 C\n0.260890 0.269642 0.948563 C\n0.184377 0.437944 0.028777 C\n0.184356 0.437952 0.528777 C\n0.174317 0.943905 0.721480 C\n0.174382 0.943917 0.221511 C\n0.934392 0.469822 0.964718 C\n0.839898 0.626248 0.042483 N\n0.839846 0.626229 0.542452 N\n","nsites":36,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.2633331729377975,"density_atomic":0.11492039487767408,"volume":313.2603228375595,"volume_molar":5.24027155180785,"formula_full":"H18 C16 N2","formula_reduced":"H9C8N","formula_anonymous":"AB8C9","energy_above_hull":5.345961847222222,"spacegroup":1}]}