{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4559","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4557","results":[{"id":"jvasp-33308","created_at":"2022-09-04T14:38:34.452366Z","updated_at":"2022-09-04T14:38:34.452394Z","structure_string":"B4 H20 C4 N8\n1.0\n7.722402 0.000000 0.000000\n0.000000 6.382985 0.000000\n0.000000 0.000000 6.701021\nB H C N\n4 20 4 8\ndirect\n0.727833 0.127310 0.652195 B\n0.272166 0.872691 0.152195 B\n0.772166 0.627310 0.152195 B\n0.227833 0.372691 0.652195 B\n0.308914 0.369050 0.496605 H\n0.691085 0.630951 -0.003394 H\n0.191085 0.869050 -0.003394 H\n0.808914 0.130950 0.496605 H\n0.175445 0.198819 0.695809 H\n0.824554 0.801182 0.195809 H\n0.675445 0.301182 0.695809 H\n0.280733 0.461296 0.961036 H\n0.719267 0.538704 0.461037 H\n0.324554 0.698819 0.195809 H\n0.780733 0.038704 0.961036 H\n0.453943 0.361071 0.849629 H\n0.546057 0.638930 0.349629 H\n0.046057 0.861071 0.349629 H\n0.953943 0.138929 0.849629 H\n0.392235 0.605619 0.794360 H\n0.607765 0.394382 0.294360 H\n0.107765 0.105618 0.294360 H\n0.892234 0.894383 0.794360 H\n0.219267 0.961297 0.461037 H\n0.069982 0.527907 0.632102 C\n0.930018 0.472093 0.132102 C\n0.569981 0.972094 0.632102 C\n0.430018 0.027907 0.132102 C\n0.046796 0.356898 0.118593 N\n0.847831 0.043633 0.827669 N\n0.152169 0.956368 0.327669 N\n0.652169 0.543633 0.327669 N\n0.347831 0.456368 0.827669 N\n0.453204 0.856898 0.618593 N\n0.546796 0.143102 0.118593 N\n0.953204 0.643103 0.618593 N\n","nsites":36,"nelements":4,"elements":["B","H","C","N"],"chemical_system":"B-C-H-N","density":1.123589991334829,"density_atomic":0.10898965862992736,"volume":330.30656717842766,"volume_molar":5.525424004169131,"formula_full":"B4 H20 C4 N8","formula_reduced":"BH5CN2","formula_anonymous":"ABC2D5","energy_above_hull":4.404054342592593,"spacegroup":33},{"id":"jvasp-29503","created_at":"2022-09-04T14:37:05.395036Z","updated_at":"2022-09-04T14:37:05.395062Z","structure_string":"Tc4 S4 O24 F4\n1.0\n6.841974 0.000000 -0.925321\n0.000000 7.986451 0.000000\n-0.044181 0.000000 8.933835\nTc S O F\n4 4 24 4\ndirect\n0.736285 0.344509 0.158067 Tc\n0.736285 0.155491 0.658067 Tc\n0.263714 0.655491 0.841932 Tc\n0.263714 0.844509 0.341933 Tc\n0.903858 0.767120 0.563244 S\n0.096141 0.232879 0.436756 S\n0.903858 0.732879 0.063244 S\n0.096142 0.267121 0.936756 S\n0.752431 0.134572 0.172260 O\n0.162090 0.114130 0.331580 O\n0.563088 0.399472 0.264018 O\n0.036075 0.341003 0.071168 O\n0.964276 0.360039 0.364052 O\n0.035724 0.639961 0.635948 O\n0.436912 0.600528 0.735981 O\n0.247569 0.865427 0.827740 O\n0.837910 0.885870 0.668419 O\n0.162090 0.385870 0.831580 O\n0.837909 0.614130 0.168419 O\n0.752431 0.365427 0.672259 O\n0.637529 0.379963 0.977262 O\n0.963925 0.658997 0.928831 O\n0.362471 0.879963 0.522737 O\n0.362471 0.620037 0.022737 O\n0.436912 0.899472 0.235981 O\n0.963925 0.841003 0.428832 O\n0.964276 0.139961 0.864051 O\n0.036075 0.158997 0.571168 O\n0.637529 0.120037 0.477262 O\n0.035724 0.860039 0.135948 O\n0.563088 0.100528 0.764018 O\n0.247569 0.634572 0.327740 O\n0.283763 0.334273 0.500115 F\n0.283763 0.165727 1.000115 F\n0.716237 0.665727 0.499884 F\n0.716237 0.834273 -0.000116 F\n","nsites":36,"nelements":4,"elements":["Tc","S","O","F"],"chemical_system":"F-O-S-Tc","density":3.336557031953463,"density_atomic":0.07379380159569891,"volume":487.84585184046495,"volume_molar":8.16076774712607,"formula_full":"Tc4 S4 O24 F4","formula_reduced":"TcSO6F","formula_anonymous":"ABCD6","energy_above_hull":2.692574753611111,"spacegroup":14},{"id":"jvasp-104133","created_at":"2022-09-04T14:37:02.192136Z","updated_at":"2022-09-04T14:37:02.192163Z","structure_string":"H12 C18 S4 O2\n1.0\n4.556067 0.012041 0.372616\n0.798842 7.763498 1.313354\n0.016269 0.141981 11.413045\nH C S O\n12 18 4 2\ndirect\n0.585830 0.047370 0.939973 H\n0.861249 0.930443 0.372976 H\n0.332493 0.995193 0.639146 H\n0.831976 0.995567 0.138952 H\n0.814610 0.537123 0.259319 H\n0.315183 0.537176 0.759568 H\n0.361864 0.930625 0.873209 H\n0.983928 0.236054 0.955781 H\n0.418864 0.800962 0.185455 H\n0.919493 0.801006 0.685620 H\n0.085029 0.047032 0.439960 H\n0.483911 0.235526 0.455791 H\n0.098995 0.103174 0.247883 C\n0.079326 0.979696 0.363781 C\n0.579951 0.979885 0.863881 C\n0.744029 0.325701 0.577267 C\n0.244107 0.325819 0.077429 C\n0.319396 0.830156 0.369803 C\n0.820003 0.830333 0.869942 C\n0.599406 0.103193 0.747899 C\n0.684932 0.580574 0.438633 C\n0.464498 0.755291 0.278554 C\n0.558666 0.219900 0.545368 C\n0.058608 0.220217 0.045384 C\n0.965109 0.755395 0.778727 C\n0.477789 0.092840 0.643734 C\n0.977448 0.093077 0.143652 C\n0.675115 0.612366 0.317356 C\n0.175690 0.612471 0.817574 C\n0.185445 0.580749 0.938853 C\n0.940378 0.724493 0.007030 S\n0.439844 0.724253 0.506868 S\n0.313830 0.274736 0.227315 S\n0.814014 0.274879 0.727136 S\n0.375548 0.460383 0.006410 O\n0.875227 0.460243 0.506117 O\n","nsites":36,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.6020698040276415,"density_atomic":0.08939055542547177,"volume":402.7271094653231,"volume_molar":6.736887058522511,"formula_full":"H12 C18 S4 O2","formula_reduced":"H6C9S2O","formula_anonymous":"AB2C6D9","energy_above_hull":5.304602972222222,"spacegroup":1},{"id":"jvasp-104109","created_at":"2022-09-04T14:36:46.900095Z","updated_at":"2022-09-04T14:36:46.900120Z","structure_string":"H12 C20 N4\n1.0\n7.154170 0.000000 -0.000478\n0.000000 3.726108 0.000000\n0.000583 0.000000 12.143897\nH C N\n12 20 4\ndirect\n0.760943 0.171825 0.306340 H\n0.959368 0.536881 0.371852 H\n0.260930 0.671868 0.274367 H\n0.260929 0.328133 0.774367 H\n0.562494 0.536838 0.371849 H\n0.562494 0.463163 0.871849 H\n0.959368 0.463120 0.871852 H\n0.459381 0.036752 0.208858 H\n0.062498 0.963283 0.708865 H\n0.062498 0.036717 0.208865 H\n0.760943 0.828176 0.806340 H\n0.459381 0.963248 0.708859 H\n0.422939 0.299392 0.511382 C\n0.098926 0.299421 0.511386 C\n0.098926 0.700580 0.011386 C\n0.093365 0.468746 0.408302 C\n0.093365 0.531255 0.908303 C\n0.260929 0.549136 0.355839 C\n0.260929 0.450865 0.855839 C\n0.428497 0.468711 0.408298 C\n0.428497 0.531289 0.908298 C\n0.422939 0.700609 0.011382 C\n0.760942 0.951048 0.724888 C\n0.922942 0.799134 0.069353 C\n0.928503 0.031496 0.672429 C\n0.928503 0.968504 0.172429 C\n0.760942 0.048953 0.224888 C\n0.593375 0.031486 0.672428 C\n0.593376 0.968515 0.172428 C\n0.598928 0.200864 0.569353 C\n0.598928 0.799137 0.069353 C\n0.922942 0.200866 0.569353 C\n0.260934 0.782798 0.061735 N\n0.760933 0.716917 0.019005 N\n0.760933 0.283083 0.519005 N\n0.260934 0.217203 0.561735 N\n","nsites":36,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.5816146292116224,"density_atomic":0.1112063866885928,"volume":323.722414440184,"volume_molar":5.415283185905125,"formula_full":"H12 C20 N4","formula_reduced":"H3C5N","formula_anonymous":"AB3C5","energy_above_hull":5.663322583333334,"spacegroup":62},{"id":"jvasp-103797","created_at":"2022-09-04T14:36:43.714585Z","updated_at":"2022-09-04T14:36:43.714605Z","structure_string":"H16 C18 O2\n1.0\n5.528287 -0.077377 -1.723620\n-1.243341 7.011789 -2.210805\n0.057396 0.023365 8.333612\nH C O\n16 18 2\ndirect\n0.723525 0.563217 0.075177 H\n0.446347 0.859056 0.825319 H\n0.946345 0.859055 0.325319 H\n0.834982 0.556384 0.382060 H\n0.054595 0.858109 0.629539 H\n0.554594 0.858110 0.129539 H\n0.218905 0.405886 0.211403 H\n0.718905 0.405886 0.711404 H\n0.334982 0.556385 0.882060 H\n0.087862 0.098255 0.907567 H\n0.489302 0.302792 0.227673 H\n-0.010699 0.302792 0.727673 H\n0.387564 0.047025 0.523561 H\n0.887565 0.047023 0.023560 H\n0.223525 0.563218 0.575178 H\n0.587860 0.098254 0.407568 H\n0.266357 0.878546 0.245309 C\n0.531506 0.793199 0.727666 C\n0.031505 0.793200 0.227667 C\n0.405755 0.627616 0.586383 C\n0.905753 0.627615 0.086382 C\n0.255474 0.220323 0.365610 C\n0.755474 0.220319 0.865611 C\n0.766358 0.878546 0.745309 C\n0.511865 0.541458 0.458818 C\n0.395288 0.062506 0.397932 C\n0.872171 0.793117 0.618060 C\n0.372170 0.793118 0.118061 C\n0.747859 0.624478 0.477750 C\n0.247858 0.624477 0.977750 C\n0.368599 0.364390 0.300946 C\n0.868602 0.364392 0.800947 C\n0.895289 0.062508 0.897933 C\n0.011865 0.541459 0.958818 C\n0.556643 0.229407 0.890489 O\n0.056641 0.229407 0.390489 O\n","nsites":36,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.3577032008024708,"density_atomic":0.11136040012228451,"volume":323.2747005261162,"volume_molar":5.407793751986438,"formula_full":"H16 C18 O2","formula_reduced":"H8C9O","formula_anonymous":"AB8C9","energy_above_hull":5.391541305555554,"spacegroup":1},{"id":"jvasp-101998","created_at":"2022-09-04T14:36:54.624550Z","updated_at":"2022-09-04T14:36:54.624563Z","structure_string":"H8 C16 O12\n1.0\n5.142053 0.000000 0.000000\n0.000000 6.597810 0.000000\n0.000000 0.000000 11.238452\nH C O\n8 16 12\ndirect\n0.958477 0.020690 0.210333 H\n0.458477 0.479310 0.789667 H\n0.541522 -0.020690 0.710333 H\n0.041522 0.520690 0.289667 H\n0.061296 0.885964 0.986001 H\n0.561296 0.614036 0.013999 H\n0.438703 0.114036 0.486001 H\n0.938703 0.385964 0.513999 H\n0.556047 0.543788 0.487722 C\n0.056047 0.956212 0.512277 C\n0.943952 0.456212 -0.012278 C\n0.443952 0.043788 0.012278 C\n0.819249 0.474696 0.454152 C\n0.319249 0.025304 0.545848 C\n0.180751 0.974696 0.045848 C\n0.680750 0.525304 0.954151 C\n0.370426 0.957842 0.655709 C\n0.629573 0.457842 0.844291 C\n0.129573 0.042158 0.155709 C\n0.645966 0.663087 0.303368 C\n0.145966 0.836913 0.696632 C\n0.854033 0.336913 0.803368 C\n0.354034 0.163087 0.196632 C\n0.870426 0.542158 0.344291 C\n0.073765 0.488126 0.075701 O\n0.573765 0.011874 0.924299 O\n0.608346 0.753751 0.211444 O\n0.108347 0.746249 0.788556 O\n0.891653 0.246249 0.711444 O\n0.042449 0.336527 0.894430 O\n0.457551 0.663473 0.394430 O\n0.957550 0.836527 0.605570 O\n0.542449 0.163473 0.105570 O\n0.926234 0.988126 0.424299 O\n0.391653 0.253751 0.288556 O\n0.426235 0.511874 0.575701 O\n","nsites":36,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.7082220004051862,"density_atomic":0.09441905560722966,"volume":381.27896713725954,"volume_molar":6.378098913688864,"formula_full":"H8 C16 O12","formula_reduced":"H2C4O3","formula_anonymous":"A2B3C4","energy_above_hull":4.742702277777777,"spacegroup":19},{"id":"jvasp-101986","created_at":"2022-09-04T14:36:44.088921Z","updated_at":"2022-09-04T14:36:44.088948Z","structure_string":"H16 C20\n1.0\n7.112449 0.000000 -3.096578\n0.000000 5.850792 0.000000\n-0.080266 0.000000 7.941571\nH C\n16 20\ndirect\n0.475855 0.069372 0.840776 H\n0.345912 0.809954 0.380407 H\n0.654088 0.190046 0.619593 H\n0.654088 0.309954 0.119593 H\n0.978474 0.078067 0.830424 H\n0.021526 0.921932 0.169575 H\n0.021525 0.578067 0.669575 H\n0.978474 0.421933 0.330424 H\n0.345911 0.690046 0.880407 H\n0.720008 0.832333 0.907422 H\n0.720008 0.667666 0.407422 H\n0.279991 0.332333 0.592577 H\n0.475856 0.430627 0.340776 H\n0.524144 0.569372 0.659224 H\n0.524144 0.930627 0.159224 H\n0.279992 0.167666 0.092577 H\n0.962858 0.608423 0.011158 C\n0.740529 0.194301 0.229512 C\n0.259470 0.805699 0.770488 C\n0.921496 0.242790 0.846364 C\n0.078503 0.757210 0.153636 C\n0.078503 0.742790 0.653636 C\n0.921497 0.257210 0.346364 C\n0.037141 0.391577 0.988842 C\n0.962858 0.891576 0.511158 C\n0.667068 0.980094 0.251707 C\n0.224421 0.332721 0.110105 C\n0.775579 0.667279 0.889894 C\n0.775579 0.832721 0.389895 C\n0.224420 0.167279 0.610105 C\n0.332932 0.480094 0.248293 C\n0.667067 0.519906 0.751707 C\n0.740529 0.305699 0.729511 C\n0.332932 0.019906 0.748293 C\n0.037142 0.108423 0.488842 C\n0.259471 0.694301 0.270488 C\n","nsites":36,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.2937258642830565,"density_atomic":0.10941516560956237,"volume":329.0220308989211,"volume_molar":5.503936064484368,"formula_full":"H16 C20","formula_reduced":"H4C5","formula_anonymous":"A4B5","energy_above_hull":5.318262222222223,"spacegroup":14},{"id":"jvasp-95463","created_at":"2022-09-04T14:36:35.135839Z","updated_at":"2022-09-04T14:36:35.135854Z","structure_string":"H20 C8 Cl4 O4\n1.0\n5.906024 0.000000 -2.134186\n0.000000 7.779288 0.000000\n-0.046583 0.000000 8.066731\nH C Cl O\n20 8 4 4\ndirect\n0.462507 0.833454 0.049427 H\n0.448756 0.438030 0.150329 H\n0.938329 0.237132 0.793644 H\n0.614948 0.520247 0.653030 H\n0.948756 0.061970 0.650328 H\n0.885052 0.020247 0.846969 H\n0.051244 0.938031 0.349671 H\n0.537493 0.166547 0.950572 H\n0.191298 0.815062 0.669586 H\n0.438329 0.262868 0.293644 H\n0.551244 0.561970 0.849671 H\n0.061671 0.762868 0.206355 H\n0.037493 0.333454 0.450572 H\n0.691297 0.684939 0.169586 H\n0.114948 0.979753 0.153031 H\n0.808702 0.184939 0.330413 H\n0.962507 0.666547 0.549427 H\n0.308702 0.315062 0.830413 H\n0.385052 0.479753 0.346969 H\n0.561671 0.737132 0.706355 H\n0.483486 0.399193 0.288531 C\n0.132251 0.681202 0.648039 C\n0.983486 0.100807 0.788531 C\n0.516514 0.600807 0.711468 C\n0.632250 0.818798 0.148039 C\n0.867749 0.318798 0.351960 C\n0.016514 0.899193 0.211469 C\n0.367750 0.181202 0.851960 C\n0.094190 0.622395 0.862173 Cl\n0.594189 0.877605 0.362173 Cl\n0.405811 0.122395 0.637826 Cl\n0.905810 0.377605 0.137826 Cl\n0.780282 0.926512 0.108688 O\n0.719717 0.426511 0.391311 O\n0.280283 0.573489 0.608688 O\n0.219718 0.073489 0.891311 O\n","nsites":36,"nelements":4,"elements":["H","C","Cl","O"],"chemical_system":"C-Cl-H-O","density":1.4459469729159837,"density_atomic":0.09733680171480112,"volume":369.84983444885273,"volume_molar":6.186910453093579,"formula_full":"H20 C8 Cl4 O4","formula_reduced":"H5C2ClO","formula_anonymous":"ABC2D5","energy_above_hull":3.5706897297222224,"spacegroup":14},{"id":"jvasp-97562","created_at":"2022-09-04T14:36:16.344458Z","updated_at":"2022-09-04T14:36:16.344480Z","structure_string":"H24 C8 I2 N2\n1.0\n7.769869 -0.000000 -0.000000\n0.000000 7.769869 -0.000000\n0.000000 0.000000 5.650095\nH C I N\n24 8 2 2\ndirect\n0.750000 0.978386 0.457955 H\n0.596378 0.365901 0.765927 H\n0.903622 0.365901 0.765927 H\n0.596378 0.134099 0.765927 H\n0.903622 0.134099 0.765927 H\n0.365901 0.596378 0.765927 H\n0.134099 0.596378 0.765927 H\n0.134099 0.903622 0.765927 H\n0.403622 0.634099 0.234074 H\n0.096378 0.634099 0.234074 H\n0.403622 0.865901 0.234074 H\n0.096378 0.865901 0.234074 H\n0.365901 0.903622 0.765927 H\n0.865901 0.403622 0.234074 H\n0.634099 0.096378 0.234074 H\n0.865901 0.096378 0.234074 H\n0.478386 0.250000 0.542046 H\n0.021614 0.250000 0.542046 H\n0.250000 0.478386 0.542046 H\n0.250000 0.021614 0.542046 H\n0.521614 0.750000 0.457955 H\n0.978386 0.750000 0.457955 H\n0.750000 0.521614 0.457955 H\n0.634099 0.403622 0.234074 H\n0.592639 0.250000 0.655708 C\n0.907361 0.250000 0.655708 C\n0.250000 0.592639 0.655708 C\n0.250000 0.907361 0.655708 C\n0.750000 0.092639 0.344293 C\n0.092639 0.750000 0.344293 C\n0.750000 0.407361 0.344293 C\n0.407361 0.750000 0.344293 C\n0.750000 0.750000 0.885816 I\n0.250000 0.250000 0.114184 I\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n","nsites":36,"nelements":4,"elements":["H","C","I","N"],"chemical_system":"C-H-I-N","density":1.9574848391204978,"density_atomic":0.10554055105145653,"volume":341.101118398066,"volume_molar":5.70599707885161,"formula_full":"H24 C8 I2 N2","formula_reduced":"H12C4IN","formula_anonymous":"ABC4D12","energy_above_hull":4.168779418055555,"spacegroup":129},{"id":"jvasp-88221","created_at":"2022-09-04T14:36:11.960896Z","updated_at":"2022-09-04T14:36:11.960907Z","structure_string":"P16 S12 I8\n1.0\n6.619154 0.000000 0.000000\n0.000000 9.334018 0.000000\n0.000000 0.000000 16.379173\nP S I\n16 12 8\ndirect\n0.454910 0.491162 0.353800 P\n0.045090 0.991162 0.146200 P\n0.199335 0.873219 0.250000 P\n0.699335 0.626781 0.750000 P\n0.741199 0.750645 0.250000 P\n0.454910 0.491162 0.146200 P\n0.241199 0.749356 0.750000 P\n0.758800 0.250645 0.250000 P\n0.954910 0.008838 0.853800 P\n0.545089 0.508839 0.646200 P\n0.258801 0.249355 0.750000 P\n0.954910 0.008838 0.646200 P\n0.300665 0.373219 0.250000 P\n0.800664 0.126781 0.750000 P\n0.045090 0.991162 0.353800 P\n0.545089 0.508839 0.853800 P\n0.250764 0.606573 0.646864 S\n0.249236 0.106572 0.646864 S\n0.456729 0.175098 0.250000 S\n0.956729 0.324902 0.750000 S\n0.749235 0.393428 0.353136 S\n0.043270 0.675098 0.250000 S\n0.749235 0.393428 0.146864 S\n0.250764 0.606573 0.853136 S\n0.543270 0.824902 0.750000 S\n0.249236 0.106572 0.853136 S\n0.750764 0.893428 0.146864 S\n0.750764 0.893428 0.353136 S\n0.230375 0.851732 0.462583 I\n0.730375 0.648269 0.962583 I\n0.269624 0.351732 0.037417 I\n0.269624 0.351732 0.462583 I\n0.769624 0.148269 0.962583 I\n0.769624 0.148269 0.537417 I\n0.230375 0.851732 0.037417 I\n0.730375 0.648269 0.537417 I\n","nsites":36,"nelements":3,"elements":["P","S","I"],"chemical_system":"I-P-S","density":3.110511279578635,"density_atomic":0.035574549677867745,"volume":1011.9594014818111,"volume_molar":16.92822766424672,"formula_full":"P16 S12 I8","formula_reduced":"P4S3I2","formula_anonymous":"A2B3C4","energy_above_hull":2.2122282833333333,"spacegroup":62},{"id":"jvasp-91323","created_at":"2022-09-04T14:36:15.909851Z","updated_at":"2022-09-04T14:36:15.909882Z","structure_string":"Rb2 V6 Se4 O24\n1.0\n7.146013 -0.000001 0.000000\n-3.573005 6.188630 -0.000000\n0.000000 0.000000 11.395590\nRb V Se O\n2 6 4 24\ndirect\n0.666667 0.333333 0.031157 Rb\n0.333332 0.666667 0.531157 Rb\n0.789899 0.123623 0.709270 V\n0.666275 0.789900 0.209270 V\n0.876377 0.666276 0.709270 V\n0.210100 0.876378 0.209270 V\n0.123622 0.333724 0.209270 V\n0.333724 0.210101 0.709270 V\n0.666667 0.333333 0.477527 Se\n0.333332 0.666667 0.977527 Se\n0.000000 0.000000 0.435852 Se\n0.000000 0.000000 0.935852 Se\n0.119205 0.866056 0.368986 O\n0.880794 0.133944 0.868986 O\n0.746849 0.880794 0.368986 O\n0.133944 0.253150 0.368986 O\n0.866055 0.746850 0.868986 O\n0.253150 0.119206 0.868986 O\n0.748183 0.875513 0.676381 O\n0.216051 0.414764 0.043476 O\n0.872670 0.748184 0.176381 O\n0.875512 0.127330 0.176381 O\n0.124487 0.872671 0.676381 O\n0.127329 0.251816 0.676381 O\n0.251815 0.124487 0.176381 O\n0.540151 0.081113 0.735946 O\n0.585236 0.801287 0.043476 O\n0.459037 0.540151 0.235946 O\n0.918886 0.459037 0.735946 O\n0.540962 0.459849 0.735946 O\n0.459848 0.918887 0.235946 O\n0.198713 0.783949 0.043476 O\n0.414763 0.198714 0.543476 O\n0.783948 0.585236 0.543476 O\n0.081113 0.540963 0.235946 O\n0.801286 0.216051 0.543476 O\n","nsites":36,"nelements":4,"elements":["Rb","V","Se","O"],"chemical_system":"O-Rb-Se-V","density":3.8762589167660506,"density_atomic":0.07143439981847668,"volume":503.95887823626,"volume_molar":8.430309172195718,"formula_full":"Rb2 V6 Se4 O24","formula_reduced":"RbV3(SeO6)2","formula_anonymous":"AB2C3D12","energy_above_hull":2.9553706296296296,"spacegroup":173},{"id":"jvasp-96847","created_at":"2022-09-04T14:36:34.510542Z","updated_at":"2022-09-04T14:36:34.510554Z","structure_string":"Nb8 Ni4 O24\n1.0\n5.070372 -0.000000 0.000000\n-0.000000 5.731860 0.000000\n0.000000 0.000000 14.106512\nNb Ni O\n8 4 24\ndirect\n0.240679 0.317107 0.657782 Nb\n0.759321 0.682893 0.342217 Nb\n0.259321 0.817107 0.157783 Nb\n0.740679 0.682893 0.657782 Nb\n0.740679 0.182893 0.842217 Nb\n0.759321 0.182893 0.157783 Nb\n0.259321 0.317107 0.342217 Nb\n0.240679 0.817107 0.842217 Nb\n0.750000 0.150786 0.500000 Ni\n0.250000 0.849214 0.500000 Ni\n0.750000 0.650786 0.000000 Ni\n0.250000 0.349214 0.000000 Ni\n0.413446 0.109889 0.908170 O\n0.084977 0.612731 0.076907 O\n0.584977 0.887269 0.423093 O\n0.415023 0.612731 0.923093 O\n0.915023 0.887269 0.576907 O\n0.913445 0.390111 0.591830 O\n0.928947 0.380147 0.256134 O\n0.086554 0.609889 0.408170 O\n0.428947 0.119853 0.243866 O\n0.571052 0.380147 0.743866 O\n0.071052 0.119853 0.756134 O\n0.071052 0.619853 0.743866 O\n0.571052 0.880147 0.756134 O\n0.428947 0.619853 0.256134 O\n0.086554 0.109889 0.091830 O\n0.928947 0.880147 0.243866 O\n0.415023 0.112731 0.576907 O\n0.584977 0.387269 0.076907 O\n0.084977 0.112731 0.423093 O\n0.913445 0.890111 0.908170 O\n0.413446 0.609889 0.591830 O\n0.586554 0.890111 0.091830 O\n0.915023 0.387269 0.923093 O\n0.586554 0.390111 0.408170 O\n","nsites":36,"nelements":3,"elements":["Nb","Ni","O"],"chemical_system":"Nb-Ni-O","density":5.516637277449958,"density_atomic":0.0878107042611746,"volume":409.9727966299589,"volume_molar":6.858094136323517,"formula_full":"Nb8 Ni4 O24","formula_reduced":"Nb2NiO6","formula_anonymous":"AB2C6","energy_above_hull":3.225289133333334,"spacegroup":60}]}