{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4640","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4638","results":[{"id":"jvasp-103918","created_at":"2022-09-04T14:36:40.889347Z","updated_at":"2022-09-04T14:36:40.889378Z","structure_string":"Zn1 H8 C6 O4\n1.0\n4.022180 -0.029251 0.630223\n1.945798 4.049325 0.650372\n-0.230859 -0.229248 9.914951\nZn H C O\n1 8 6 4\ndirect\n0.243229 0.085911 0.213176 Zn\n0.588322 0.225457 0.362519 H\n0.080216 0.240197 0.543389 H\n0.457847 0.748575 0.641383 H\n0.885724 0.300946 0.791176 H\n0.372108 0.777598 0.908183 H\n0.639241 -0.005479 0.890385 H\n0.736422 0.959713 0.627903 H\n0.173168 0.500147 0.778822 H\n0.806469 0.590001 0.036610 C\n0.658854 0.743888 0.901070 C\n0.884202 0.545587 0.779454 C\n0.101769 0.618190 0.409462 C\n0.985620 0.504827 0.528047 C\n0.744753 0.712283 0.641544 C\n0.027092 0.284396 0.041772 O\n0.001641 0.929690 0.365347 O\n0.364220 0.390345 0.316606 O\n0.724425 0.756354 0.141415 O\n","nsites":19,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":2.1350936641503337,"density_atomic":0.11659133316636458,"volume":162.96237022085367,"volume_molar":5.165170168701122,"formula_full":"Zn1 H8 C6 O4","formula_reduced":"ZnH8(C3O2)2","formula_anonymous":"AB4C6D8","energy_above_hull":4.2764876,"spacegroup":1},{"id":"jvasp-101898","created_at":"2022-09-04T14:36:40.909110Z","updated_at":"2022-09-04T14:36:40.909130Z","structure_string":"Al1 H18 C10 Cl1 O5\n1.0\n5.260287 0.030841 0.083650\n-0.851831 6.693770 -1.910712\n0.189562 -0.137384 9.119222\nAl H C Cl O\n1 18 10 1 5\ndirect\n0.537848 0.627014 0.924673 Al\n0.023419 0.865153 0.466068 H\n0.825902 0.732767 0.308070 H\n0.269871 0.465644 0.712634 H\n0.439759 0.869191 0.454111 H\n0.671105 0.054692 0.420545 H\n0.854806 0.086944 0.693534 H\n0.560457 0.948292 0.721288 H\n0.674988 0.244210 0.267163 H\n0.129091 0.668056 0.826932 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C\n0.069250 0.219325 0.625761 C\n0.418698 0.282696 0.113643 O\n0.121636 0.434881 0.338123 O\n0.817782 0.956874 0.257572 O\n0.856999 0.580428 0.030151 O\n","nsites":25,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.359461338951825,"density_atomic":0.12482021740452501,"volume":200.2880664674575,"volume_molar":4.82465171526106,"formula_full":"Cd1 H12 C8 O4","formula_reduced":"CdH12(C2O)4","formula_anonymous":"AB4C8D12","energy_above_hull":4.42217255,"spacegroup":1},{"id":"jvasp-101232","created_at":"2022-09-04T14:36:40.996260Z","updated_at":"2022-09-04T14:36:40.996281Z","structure_string":"Ba1 Ga2 Si1 Se6\n1.0\n6.295310 0.016008 -1.476750\n-1.207717 6.380232 -1.076440\n-0.063072 0.047662 6.703247\nBa Ga Si Se\n1 2 1 6\ndirect\n0.994087 0.979870 0.964795 Ba\n0.529897 0.376300 0.798071 Ga\n0.794504 0.516848 0.388631 Ga\n0.375865 0.808146 0.529281 Si\n0.696980 0.864996 0.438729 Se\n0.432683 0.725784 0.857537 Se\n0.883104 0.432290 0.734533 Se\n0.121886 0.580135 0.258881 Se\n0.235210 0.113075 0.546445 Se\n0.568095 0.234964 0.115409 Se\n","nsites":10,"nelements":4,"elements":["Ba","Ga","Si","Se"],"chemical_system":"Ba-Ga-Se-Si","density":4.8031338423948196,"density_atomic":0.03714932036423123,"volume":269.18392858751673,"volume_molar":16.210635082838138,"formula_full":"Ba1 Ga2 Si1 Se6","formula_reduced":"BaGa2SiSe6","formula_anonymous":"ABC2D6","energy_above_hull":1.1476809419999998,"spacegroup":1},{"id":"jvasp-101839","created_at":"2022-09-04T14:36:41.045551Z","updated_at":"2022-09-04T14:36:41.045561Z","structure_string":"H16 C26 O4\n1.0\n3.706368 -0.086705 -0.341050\n-1.052873 8.481179 -1.065546\n-0.022001 -0.287720 14.209550\nH C O\n16 26 4\ndirect\n0.930362 0.990282 0.062434 H\n0.635900 0.427539 0.265953 H\n0.201971 0.707959 0.495344 H\n0.701982 0.707959 0.995345 H\n0.028130 0.231608 0.565337 H\n0.528136 0.231607 0.065337 H\n0.969791 0.928650 0.823629 H\n0.469795 0.928650 0.323629 H\n0.135902 0.427539 0.765953 H\n0.515399 0.060645 0.907826 H\n0.745810 0.644807 0.757222 H\n0.245817 0.644806 0.257222 H\n0.625807 0.593891 0.424102 H\n0.125816 0.593891 0.924103 H\n0.430355 0.990282 0.562434 H\n0.015399 0.060646 0.407827 H\n0.823229 0.233548 0.326211 C\n0.777133 0.913827 0.104308 C\n0.277126 0.913826 0.604308 C\n0.217210 0.478490 0.920266 C\n0.717204 0.478490 0.420265 C\n0.720609 0.385526 0.332064 C\n0.150269 0.756456 0.566864 C\n0.220611 0.385527 0.832065 C\n0.355549 0.150079 0.728788 C\n0.855552 0.150079 0.228788 C\n0.323229 0.233548 0.826212 C\n0.650278 0.756457 0.066865 C\n0.959503 0.660034 0.622994 C\n0.425575 0.176544 0.910750 C\n0.832045 0.421164 0.503548 C\n0.332052 0.421163 0.003549 C\n0.219089 0.979250 0.697196 C\n0.719094 0.979251 0.197197 C\n0.925574 0.176546 0.410750 C\n0.900517 0.722256 0.716163 C\n0.400524 0.722255 0.216164 C\n0.935327 0.270859 0.499307 C\n0.435331 0.270858 -0.000693 C\n0.026901 0.880451 0.752356 C\n0.526907 0.880451 0.252356 C\n0.459511 0.660033 0.122995 C\n0.497613 0.230394 0.672266 O\n0.325561 0.502711 0.095171 O\n0.825551 0.502712 0.595171 O\n-0.002385 0.230394 0.172267 O\n","nsites":46,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.4673506689821287,"density_atomic":0.10358825249415551,"volume":444.0657979300822,"volume_molar":5.813536395297113,"formula_full":"H16 C26 O4","formula_reduced":"H8C13O2","formula_anonymous":"A2B8C13","energy_above_hull":5.743161173913043,"spacegroup":1},{"id":"jvasp-2919","created_at":"2022-09-04T14:36:41.123225Z","updated_at":"2022-09-04T14:36:41.123254Z","structure_string":"Fe1 Si4 P4\n1.0\n4.916945 0.003588 -0.001542\n-1.872457 -5.270236 -0.001679\n-2.251857 0.274651 -5.678503\nFe Si P\n1 4 4\ndirect\n0.999506 0.000780 0.000235 Fe\n0.680692 0.222482 0.783549 Si\n0.238873 0.661160 0.569064 Si\n0.344434 0.400338 0.114043 Si\n0.846855 0.028670 0.302480 Si\n0.156309 0.988452 0.691052 P\n0.634986 0.600370 0.882625 P\n0.762924 0.358410 0.435369 P\n0.328623 0.781041 0.230783 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H\n0.116146 0.529264 0.370912 H\n0.585116 0.098069 0.519340 C\n0.043399 0.657409 0.887752 C\n0.543404 0.157406 0.387752 C\n0.902315 0.522617 0.820912 C\n0.402322 0.022613 0.320912 C\n0.085118 0.598069 0.019341 C\n0.804715 0.325690 0.881903 C\n0.647101 0.182852 0.809017 C\n0.984959 0.403240 0.081397 C\n0.484952 0.903242 0.581397 C\n0.851316 0.268247 0.012421 C\n0.351312 0.768248 0.512421 C\n0.147107 0.682848 0.309018 C\n0.304718 0.825688 0.381904 C\n0.711080 0.241525 0.586132 N\n0.211084 0.741524 0.086133 N\n0.860281 0.145384 0.706078 O\n0.360287 0.645381 0.206079 O\n","nsites":32,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.4648235298405994,"density_atomic":0.11651474378171983,"volume":274.6433538054995,"volume_molar":5.1685654231725,"formula_full":"H14 C14 N2 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0.175833 C\n0.461966 0.008052 0.423901 C\n0.029830 0.465491 0.626358 S\n0.529829 0.965490 0.126358 S\n0.152874 0.347368 0.910178 S\n0.652874 0.847368 0.410178 S\n0.273895 0.262069 0.161041 N\n0.773896 0.762069 0.661041 N\n","nsites":28,"nelements":4,"elements":["H","C","S","N"],"chemical_system":"C-H-N-S","density":1.6980223937825374,"density_atomic":0.09221828453081304,"volume":303.62742207207634,"volume_molar":6.530310979692766,"formula_full":"H10 C12 S4 N2","formula_reduced":"H5C6S2N","formula_anonymous":"AB2C5D6","energy_above_hull":5.125060232142857,"spacegroup":1},{"id":"jvasp-103871","created_at":"2022-09-04T14:36:41.586714Z","updated_at":"2022-09-04T14:36:41.586740Z","structure_string":"Sn1 H24 C13 O4\n1.0\n5.013811 -0.016018 0.503180\n-0.137122 6.910833 2.115181\n-0.027080 -0.100183 10.061020\nSn H C O\n1 24 13 4\ndirect\n0.972214 0.632058 0.996524 Sn\n0.520759 0.877902 0.396873 H\n0.617558 0.401756 0.181924 H\n0.936723 0.384916 0.250951 H\n0.975444 0.883337 0.744081 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0.530615 0.638199 C\n0.268744 0.571330 0.092859 C\n0.067196 0.440077 0.782103 C\n0.122742 0.661004 0.937230 C\n0.548971 0.258680 0.273755 O\n0.064097 0.868130 0.443080 O\n0.359002 0.980903 0.913174 O\n0.601441 0.771858 0.152311 O\n","nsites":16,"nelements":4,"elements":["Hf","H","C","O"],"chemical_system":"C-H-Hf-O","density":3.6558697710747508,"density_atomic":0.11415147484253349,"volume":140.1646366993614,"volume_molar":5.275569823611351,"formula_full":"Hf1 H6 C5 O4","formula_reduced":"HfH6C5O4","formula_anonymous":"AB4C5D6","energy_above_hull":4.6977385625,"spacegroup":1},{"id":"jvasp-103856","created_at":"2022-09-04T14:36:41.629264Z","updated_at":"2022-09-04T14:36:41.629293Z","structure_string":"H2 C4 S4 N2 O2\n1.0\n3.668600 -0.028713 0.012426\n-0.410142 4.185795 -0.115653\n-0.001905 -0.085119 13.182298\nH C S N O\n2 4 4 2 2\ndirect\n0.782700 0.210192 0.155810 H\n0.282705 0.210191 0.655810 H\n0.836067 0.670456 0.207871 C\n0.336070 0.670455 0.707871 C\n0.331303 0.179369 0.808284 C\n0.831301 0.179370 0.308284 C\n0.480928 0.303866 0.919004 S\n-0.019071 0.303866 0.419004 S\n0.001923 0.795100 0.098089 S\n0.501927 0.795100 0.598089 S\n0.766561 0.345211 0.223143 N\n0.266564 0.345210 0.723143 N\n0.737354 0.843783 0.290507 O\n0.237357 0.843783 0.790507 O\n","nsites":14,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.9569042412703943,"density_atomic":0.06922583392626849,"volume":202.23663921349382,"volume_molar":8.699267915521396,"formula_full":"H2 C4 S4 N2 O2","formula_reduced":"HC2S2NO","formula_anonymous":"ABCD2E2","energy_above_hull":4.233143821428571,"spacegroup":1},{"id":"jvasp-101902","created_at":"2022-09-04T14:36:41.644683Z","updated_at":"2022-09-04T14:36:41.644705Z","structure_string":"Zn1 H4 C4 O4\n1.0\n3.972551 0.128883 0.183689\n1.214998 4.136928 0.643123\n0.065704 -0.293237 7.229982\nZn H C O\n1 4 4 4\ndirect\n0.700928 0.843129 0.273233 Zn\n-0.002062 0.558253 0.675815 H\n0.170049 0.123399 0.721430 H\n0.512718 0.614511 0.836291 H\n0.677744 0.182157 0.887899 H\n0.464700 0.336394 0.520969 C\n0.238270 0.349741 0.696996 C\n0.439000 0.391247 0.864558 C\n0.210124 0.421260 0.039859 C\n0.402046 0.595970 0.410294 O\n0.704547 0.069253 0.494705 O\n0.255673 0.187735 0.166367 O\n0.965692 0.695382 0.049766 O\n","nsites":13,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":2.54683841504409,"density_atomic":0.10986619913478857,"volume":118.3257462474973,"volume_molar":5.481340764880543,"formula_full":"Zn1 H4 C4 O4","formula_reduced":"ZnH4(CO)4","formula_anonymous":"AB4C4D4","energy_above_hull":3.958384184615385,"spacegroup":1}]}