{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4390","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4388","results":[{"id":"jvasp-101390","created_at":"2022-09-04T14:37:11.896257Z","updated_at":"2022-09-04T14:37:11.896286Z","structure_string":"Be3 Rh1\n1.0\n3.005467 -0.004287 -3.069973\n-0.503343 2.963022 -3.069973\n0.003626 0.004287 4.296225\nBe Rh\n3 1\ndirect\n0.750002 0.250000 0.500002 Be\n0.250002 0.750000 0.500002 Be\n0.500001 0.499999 0.000001 Be\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":2,"elements":["Be","Rh"],"chemical_system":"Be-Rh","density":5.629524911729259,"density_atomic":0.10435972800390078,"volume":38.32896153054833,"volume_molar":5.770560038039677,"formula_full":"Be3 Rh1","formula_reduced":"Be3Rh","formula_anonymous":"AB3","energy_above_hull":1.992822825,"spacegroup":139},{"id":"jvasp-111697","created_at":"2022-09-04T14:38:52.174981Z","updated_at":"2022-09-04T14:38:52.174991Z","structure_string":"B2 As2 H8 N2 O8 F2\n1.0\n4.652745 -0.006223 0.002147\n-2.508561 3.918570 0.002147\n-0.003292 -0.006006 12.624072\nB As H N O F\n2 2 8 2 8 2\ndirect\n0.570096 0.249280 0.689754 B\n0.249280 0.570095 0.189754 B\n0.900632 0.934138 0.772984 As\n0.934139 0.900631 0.272985 As\n0.636447 0.327746 0.075433 H\n0.254010 0.426552 0.459256 H\n0.426553 0.254009 0.959255 H\n0.327746 0.636446 0.575432 H\n0.801852 0.628808 0.978372 H\n0.263628 0.798017 0.463344 H\n0.798019 0.263627 0.963344 H\n0.628809 0.801851 0.478372 H\n0.666928 0.368835 0.994891 N\n0.368836 0.666927 0.494891 N\n0.766833 0.506436 0.771927 O\n0.506437 0.766832 0.271927 O\n0.553428 0.933820 0.721284 O\n0.933822 0.553428 0.221284 O\n0.215414 0.161431 0.678007 O\n0.161432 0.215413 0.178007 O\n0.004389 0.063268 0.899015 O\n0.063269 0.004388 0.399015 O\n0.721852 0.366768 0.588465 F\n0.366768 0.721851 0.088465 F\n","nsites":24,"nelements":6,"elements":["B","As","H","N","O","F"],"chemical_system":"As-B-F-H-N-O","density":2.697210525715609,"density_atomic":0.10436303600340313,"volume":229.9664796951422,"volume_molar":5.770377128357617,"formula_full":"B2 As2 H8 N2 O8 F2","formula_reduced":"BAsH4NO4F","formula_anonymous":"ABCDE4F4","energy_above_hull":3.1147309888194443,"spacegroup":9},{"id":"jvasp-43751","created_at":"2022-09-04T14:37:51.449649Z","updated_at":"2022-09-04T14:37:51.449674Z","structure_string":"Mn8 O13 F3\n1.0\n5.428953 0.011840 0.002139\n-0.023201 6.505045 0.006205\n-0.097521 -0.666368 6.510738\nMn O F\n8 13 3\ndirect\n0.646885 0.374415 0.115271 Mn\n0.318241 0.127798 0.378081 Mn\n0.851810 0.874334 0.123058 Mn\n0.870855 0.381513 0.640832 Mn\n0.143866 0.138860 0.872777 Mn\n0.144225 0.625498 0.374893 Mn\n0.377366 0.611963 0.868947 Mn\n0.645241 0.876115 0.640000 Mn\n0.621380 0.823377 0.904371 O\n0.386074 0.670579 0.593423 O\n0.626265 0.418422 0.838859 O\n0.109478 0.905884 0.321912 O\n0.882771 0.654333 0.577080 O\n0.125515 0.412309 0.829499 O\n0.377591 0.081497 0.656702 O\n0.882144 0.091037 0.670741 O\n0.104187 0.344558 0.426081 O\n0.388964 0.576560 0.154876 O\n0.379508 0.172215 0.095498 O\n0.880079 0.157086 0.072211 O\n0.881798 0.593049 0.171878 O\n0.603573 0.924606 0.350475 F\n0.617621 0.327039 0.413989 F\n0.134563 0.836964 0.908545 F\n","nsites":24,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":5.087214246296895,"density_atomic":0.10436773265513304,"volume":229.9561309749276,"volume_molar":5.770117455650042,"formula_full":"Mn8 O13 F3","formula_reduced":"Mn8O13F3","formula_anonymous":"A3B8C13","energy_above_hull":3.3645214282722704,"spacegroup":1},{"id":"jvasp-97651","created_at":"2022-09-04T14:36:22.038856Z","updated_at":"2022-09-04T14:36:22.038871Z","structure_string":"P4 H12 O16\n1.0\n5.678820 0.000000 -0.490185\n0.000000 4.762627 0.000000\n0.060530 0.000000 11.331071\nP H O\n4 12 16\ndirect\n0.207660 0.185123 0.637485 P\n0.792340 0.685123 0.862514 P\n0.792340 0.814878 0.362514 P\n0.207660 0.314878 0.137485 P\n0.525111 0.147656 0.324185 H\n0.525111 0.352344 0.824185 H\n0.474889 0.852345 0.675815 H\n0.856531 0.486805 0.172604 H\n0.143469 0.986806 0.327395 H\n0.474889 0.647657 0.175815 H\n0.856531 0.013195 0.672604 H\n0.275510 0.933712 0.039372 H\n0.724490 0.433712 0.460627 H\n0.724490 0.066289 0.960627 H\n0.275510 0.566289 0.539372 H\n0.143469 0.513195 0.827395 H\n0.680826 0.386694 0.875299 O\n0.319174 0.886694 0.624701 O\n0.289106 0.182460 0.255382 O\n0.710894 0.682460 0.244618 O\n0.710894 0.817541 0.744618 O\n0.289106 0.317541 0.755382 O\n0.935599 0.347150 0.119300 O\n0.935599 0.152851 0.619300 O\n0.064401 0.652851 0.880700 O\n0.278085 0.140670 0.028304 O\n0.721915 0.640670 0.471695 O\n0.721915 0.859331 0.971695 O\n0.278085 0.359331 0.528304 O\n0.680826 0.113307 0.375299 O\n0.064401 0.847150 0.380700 O\n0.319174 0.613307 0.124701 O\n","nsites":32,"nelements":3,"elements":["P","H","O"],"chemical_system":"H-O-P","density":2.1229412164792625,"density_atomic":0.10436962776608223,"volume":306.6026073382172,"volume_molar":5.770012683667977,"formula_full":"P4 H12 O16","formula_reduced":"PH3O4","formula_anonymous":"AB3C4","energy_above_hull":2.7686061875,"spacegroup":14},{"id":"jvasp-34220","created_at":"2022-09-04T14:37:08.719667Z","updated_at":"2022-09-04T14:37:08.719681Z","structure_string":"Li4 C1 O4\n1.0\n4.452601 -0.170244 0.111335\n0.183391 4.394003 0.072181\n-0.095531 -0.070021 4.396834\nLi C O\n4 1 4\ndirect\n0.004330 0.505035 0.005293 Li\n0.504319 0.002881 0.504473 Li\n0.004330 0.005286 0.505041 Li\n0.504319 0.504473 0.002868 Li\n0.504220 0.004658 0.004659 C\n0.692548 0.190327 0.190332 O\n0.314887 0.818704 0.190769 O\n0.694597 0.818108 0.818105 O\n0.314880 0.190768 0.818699 O\n","nsites":9,"nelements":3,"elements":["Li","C","O"],"chemical_system":"C-Li-O","density":1.998371739138551,"density_atomic":0.10437301974854073,"volume":86.2291808906471,"volume_molar":5.7698251660331,"formula_full":"Li4 C1 O4","formula_reduced":"Li4CO4","formula_anonymous":"AB4C4","energy_above_hull":2.227791555555556,"spacegroup":111},{"id":"jvasp-44384","created_at":"2022-09-04T14:38:13.277632Z","updated_at":"2022-09-04T14:38:13.277658Z","structure_string":"Li3 Ti1 Cu4 O8\n1.0\n-0.280048 2.907168 -5.625562\n1.363174 -2.582986 -5.625562\n-5.077882 1.471160 -3.101741\nLi Ti Cu O\n3 1 4 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.499999 0.500000 0.000001 Ti\n-0.000001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Cu\n-0.000001 0.500000 0.000001 Cu\n0.471910 0.286804 0.814896 O\n0.989549 0.238252 0.714859 O\n0.523394 0.704408 0.714859 O\n0.966057 0.795018 0.828960 O\n0.033942 0.204982 0.171040 O\n0.476604 0.295592 0.285142 O\n0.010450 0.761748 0.285142 O\n0.528089 0.713195 0.185105 O\n","nsites":16,"nelements":4,"elements":["Li","Ti","Cu","O"],"chemical_system":"Cu-Li-O-Ti","density":4.884420885342803,"density_atomic":0.1043838704893863,"volume":153.28038637566013,"volume_molar":5.769225390633823,"formula_full":"Li3 Ti1 Cu4 O8","formula_reduced":"Li3Ti(CuO2)4","formula_anonymous":"AB3C4D8","energy_above_hull":1.7329805083333334,"spacegroup":12},{"id":"jvasp-54286","created_at":"2022-09-04T14:36:43.770065Z","updated_at":"2022-09-04T14:36:43.770081Z","structure_string":"Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n","nsites":20,"nelements":3,"elements":["Mg","Si","O"],"chemical_system":"Mg-O-Si","density":3.48016022865973,"density_atomic":0.10438433195959965,"volume":191.5996359275518,"volume_molar":5.76919988560235,"formula_full":"Mg4 Si4 O12","formula_reduced":"MgSiO3","formula_anonymous":"ABC3","energy_above_hull":1.45917563,"spacegroup":15},{"id":"jvasp-20212","created_at":"2022-09-04T14:37:34.537632Z","updated_at":"2022-09-04T14:37:34.537659Z","structure_string":"Ca2 Be26\n1.0\n6.269124 -0.000000 3.619480\n2.089708 5.910586 3.619480\n-0.000000 -0.000000 7.238961\nCa Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.935102 0.288301 0.711699 Be\n0.711699 0.064898 0.935103 Be\n0.064898 0.711700 0.288300 Be\n0.211699 0.435103 0.564897 Be\n0.435102 0.564898 0.211699 Be\n0.564897 0.211699 0.435103 Be\n0.211699 0.564898 0.788301 Be\n0.211699 0.788301 0.435102 Be\n0.788300 0.564898 0.435102 Be\n0.288301 0.711700 0.935102 Be\n0.288301 0.064898 0.711699 Be\n0.064898 0.935103 0.711699 Be\n0.000000 0.000000 0.000000 Be\n0.711699 0.288301 0.064898 Be\n0.935102 0.064898 0.288301 Be\n0.064898 0.288301 0.935102 Be\n0.788300 0.435103 0.211699 Be\n0.435102 0.788301 0.564897 Be\n0.435102 0.211699 0.788301 Be\n0.564897 0.788301 0.211699 Be\n0.788300 0.211699 0.564898 Be\n0.564897 0.435103 0.788301 Be\n0.288301 0.935103 0.064897 Be\n0.500000 0.500000 0.500000 Be\n0.935102 0.711700 0.064898 Be\n0.711699 0.935103 0.288301 Be\n","nsites":28,"nelements":2,"elements":["Ca","Be"],"chemical_system":"Be-Ca","density":1.9467870713699211,"density_atomic":0.10438651379557495,"volume":268.2338836876354,"volume_molar":5.769079300601459,"formula_full":"Ca2 Be26","formula_reduced":"CaBe13","formula_anonymous":"AB13","energy_above_hull":2.0621692657142856,"spacegroup":226},{"id":"jvasp-46959","created_at":"2022-09-04T14:38:02.206860Z","updated_at":"2022-09-04T14:38:02.206880Z","structure_string":"Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n","nsites":15,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":4.0510489494071455,"density_atomic":0.10438935325200867,"volume":143.692814762327,"volume_molar":5.768922377995594,"formula_full":"Li4 Co3 O2 F6","formula_reduced":"Li4Co3(OF3)2","formula_anonymous":"A2B3C4D6","energy_above_hull":1.2278074263333336,"spacegroup":2},{"id":"jvasp-10943","created_at":"2022-09-04T14:37:13.509236Z","updated_at":"2022-09-04T14:37:13.509262Z","structure_string":"Mn4 Cu3 O12\n1.0\n5.829910 0.000013 -2.061197\n-2.914940 5.048807 -2.061170\n-0.000013 0.000012 6.183553\nMn Cu O\n4 3 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500001 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500001 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.183712 0.689938 0.873650 O\n0.493740 0.183693 0.310041 O\n0.689960 0.873655 0.183697 O\n0.816288 0.310062 0.126350 O\n0.689934 0.506219 0.816283 O\n0.873650 0.183709 0.689937 O\n0.183704 0.310053 0.493751 O\n0.816296 0.689947 0.506248 O\n0.126350 0.816292 0.310063 O\n0.506260 0.816307 0.689958 O\n0.310066 0.493783 0.183717 O\n0.310040 0.126346 0.816303 O\n","nsites":19,"nelements":3,"elements":["Mn","Cu","O"],"chemical_system":"Cu-Mn-O","density":5.495817852348886,"density_atomic":0.10439126043741541,"volume":182.0075734346638,"volume_molar":5.7688169821556965,"formula_full":"Mn4 Cu3 O12","formula_reduced":"Mn4(CuO4)3","formula_anonymous":"A3B4C12","energy_above_hull":2.888770648185117,"spacegroup":204},{"id":"jvasp-42368","created_at":"2022-09-04T14:37:14.348006Z","updated_at":"2022-09-04T14:37:14.348025Z","structure_string":"Mn6 O11 F1\n1.0\n-4.495794 4.495794 2.883639\n-0.030707 4.464474 -2.883075\n-4.464474 0.030707 -2.883075\nMn O F\n6 11 1\ndirect\n0.830739 0.668679 0.668679 Mn\n0.332167 0.651908 0.651908 Mn\n0.667976 0.338324 0.338324 Mn\n0.161051 0.330136 0.330136 Mn\n0.512455 0.004478 0.004478 Mn\n0.987706 0.002422 0.002422 Mn\n0.667107 0.639960 0.032021 O\n0.334625 0.969027 0.360879 O\n0.000920 0.304632 0.697269 O\n0.038103 0.767963 0.767963 O\n0.370391 0.430306 0.430306 O\n0.630276 0.565112 0.565112 O\n0.960893 0.232870 0.232870 O\n0.000920 0.697269 0.304632 O\n0.334625 0.360879 0.969027 O\n0.667107 0.032021 0.639960 O\n0.701437 0.105901 0.105901 O\n0.301505 0.898099 0.898099 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":5.05276336184561,"density_atomic":0.10440167420672934,"volume":172.4110282403861,"volume_molar":5.768241559110779,"formula_full":"Mn6 O11 F1","formula_reduced":"Mn6O11F","formula_anonymous":"AB6C11","energy_above_hull":3.5127529017097703,"spacegroup":8},{"id":"jvasp-119613","created_at":"2022-09-04T14:38:52.149924Z","updated_at":"2022-09-04T14:38:52.149937Z","structure_string":"Tm1 H9 C5 N2 O8\n1.0\n6.358996 0.099236 1.768384\n2.407522 5.886469 1.768384\n0.116592 0.079608 6.485290\nTm H C N O\n1 9 5 2 8\ndirect\n0.545945 0.454056 -0.000001 Tm\n0.749011 0.805266 0.599649 H\n0.194734 0.250989 0.400349 H\n0.044633 0.703382 0.472588 H\n0.296618 0.955367 0.527411 H\n0.997273 -0.017703 0.176385 H\n0.017703 0.002728 0.823614 H\n0.353849 0.012615 0.113089 H\n-0.012616 0.646152 0.886910 H\n0.634951 0.365050 0.499999 H\n0.478587 0.521413 0.499999 C\n0.006877 0.519386 0.041793 C\n0.480614 0.993123 0.958206 C\n0.019428 0.158821 0.703847 C\n0.841179 0.980572 0.296151 C\n0.878848 0.815714 0.469508 N\n0.184287 0.121152 0.530491 N\n0.397947 0.612370 0.669929 O\n0.387631 0.602053 0.330070 O\n0.531627 0.816702 0.879365 O\n0.183299 0.468373 0.120634 O\n0.645976 0.126713 0.264133 O\n0.873288 0.354025 0.735865 O\n0.857092 0.436106 0.129414 O\n0.563894 0.142909 0.870584 O\n","nsites":25,"nelements":5,"elements":["Tm","H","C","N","O"],"chemical_system":"C-H-N-O-Tm","density":2.7326840757524438,"density_atomic":0.10440214485492412,"volume":239.45868195274798,"volume_molar":5.768215555694081,"formula_full":"Tm1 H9 C5 N2 O8","formula_reduced":"TmH9C5(NO4)2","formula_anonymous":"AB2C5D8E9","energy_above_hull":4.26438675,"spacegroup":5}]}