{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=594","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nelements&page=592","results":[{"id":"jvasp-116821","created_at":"2022-09-04T14:38:45.891398Z","updated_at":"2022-09-04T14:38:45.891414Z","structure_string":"Li6 Mn6 O6 F10\n1.0\n5.125403 0.001523 2.710348\n-1.927182 9.762333 -2.550601\n0.073931 -0.000626 6.059675\nLi Mn O F\n6 6 6 10\ndirect\n0.183644 0.568078 0.199397 Li\n0.676767 0.065978 0.713250 Li\n0.883531 0.613783 0.843712 Li\n0.379674 0.110865 0.351545 Li\n-0.001223 0.014926 0.018763 Li\n0.503686 0.517810 0.511802 Li\n0.937107 0.311824 0.438007 Mn\n0.921320 0.307421 0.944226 Mn\n0.422157 0.807593 0.443976 Mn\n0.437763 0.812324 0.937055 Mn\n0.441972 0.307481 0.944237 Mn\n0.942288 0.808081 0.442234 Mn\n0.078836 0.695984 0.532235 O\n0.577441 0.196684 0.041542 O\n0.310377 0.903881 0.279971 O\n0.567880 0.720978 0.590635 O\n0.071190 0.216804 0.075013 O\n0.804722 0.408499 0.798664 O\n0.315840 0.450591 0.307970 F\n0.301553 0.429493 0.826731 F\n0.799895 0.931269 0.335396 F\n0.557019 0.685543 0.041491 F\n0.052126 0.174305 0.562569 F\n0.088212 0.685737 0.038099 F\n0.560454 0.174183 0.561941 F\n0.826866 0.450109 0.306888 F\n0.320163 0.939891 0.829920 F\n0.788737 0.939869 0.832727 F\n","nsites":28,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":3.6228028788598485,"density_atomic":0.09294369550413176,"volume":301.2576576402138,"volume_molar":6.479342926204489,"formula_full":"Li6 Mn6 O6 F10","formula_reduced":"Li3Mn3O3F5","formula_anonymous":"A3B3C3D5","energy_above_hull":1.7081681169027094,"spacegroup":8},{"id":"jvasp-112229","created_at":"2022-09-04T14:38:47.096501Z","updated_at":"2022-09-04T14:38:47.096531Z","structure_string":"Sn2 H24 C12 F4\n1.0\n4.315193 0.023491 -0.170052\n-1.674441 4.316298 -0.420864\n-0.307325 -0.007545 18.768178\nSn H C F\n2 24 12 4\ndirect\n0.409675 0.803358 0.471347 Sn\n0.980377 0.807029 0.962030 Sn\n0.036646 0.516338 0.072399 H\n0.724720 0.677027 0.087815 H\n0.145659 0.187259 0.131784 H\n0.471192 0.082954 0.099262 H\n0.836617 0.750143 0.610788 H\n0.778067 0.244240 0.567653 H\n0.366297 0.117826 0.593599 H\n0.679961 0.190083 0.722378 H\n0.060370 0.262927 0.684467 H\n0.096688 0.778102 0.735644 H\n0.149122 0.098708 0.798606 H\n0.448965 0.669723 0.645998 H\n0.398313 0.700071 0.187595 H\n0.057585 0.782375 0.218889 H\n0.820591 0.227354 0.353606 H\n0.762822 0.867782 0.304541 H\n0.192122 0.018903 0.367485 H\n0.500244 0.545269 0.762252 H\n0.183443 0.646881 0.334332 H\n0.557052 0.864118 0.825563 H\n0.005274 0.478348 0.840634 H\n0.603766 0.355588 0.871921 H\n0.762933 0.264923 0.224323 H\n0.424053 0.319400 0.264600 H\n0.845455 0.076707 0.700849 C\n0.234092 -0.007327 0.123530 C\n0.566835 0.040044 0.577600 C\n0.668676 0.859462 0.632865 C\n0.979766 0.728796 0.073216 C\n0.965185 0.921114 0.759849 C\n0.686980 0.721508 0.800872 C\n0.638404 0.030424 0.319290 C\n0.536771 0.145204 0.250339 C\n0.806191 0.556117 0.857338 C\n0.343292 0.874952 0.360824 C\n0.297031 0.886495 0.196379 C\n0.505696 0.900175 0.962414 F\n0.871503 0.708772 0.468859 F\n0.232978 0.343503 0.478488 F\n0.146915 0.269670 0.958255 F\n","nsites":42,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":2.285076804352849,"density_atomic":0.11997616679640338,"volume":350.0695273193131,"volume_molar":5.019447545960879,"formula_full":"Sn2 H24 C12 F4","formula_reduced":"SnH12(C3F)2","formula_anonymous":"AB2C6D12","energy_above_hull":4.036221536428572,"spacegroup":1},{"id":"jvasp-46714","created_at":"2022-09-04T14:38:34.670242Z","updated_at":"2022-09-04T14:38:34.670272Z","structure_string":"Li1 Fe2 P2 O8\n1.0\n4.794883 -0.008704 0.018534\n1.859508 4.419678 0.011949\n0.079770 0.062071 6.116698\nLi Fe P O\n1 2 2 8\ndirect\n0.676887 0.170599 0.264174 Li\n0.005483 0.499237 0.002888 Fe\n0.007014 0.500800 0.524701 Fe\n0.652637 0.146400 0.771468 P\n0.349205 0.842967 0.237768 P\n0.763283 0.257040 0.973379 O\n0.297494 0.269909 0.774732 O\n0.776143 0.791259 0.774732 O\n0.755623 0.249391 0.556456 O\n0.245984 0.739753 0.449563 O\n0.236669 0.202214 0.239302 O\n0.708459 0.730416 0.239305 O\n0.243167 0.736928 0.035201 O\n","nsites":13,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":3.950185057370561,"density_atomic":0.10021962073245588,"volume":129.71511870619145,"volume_molar":6.008943873452261,"formula_full":"Li1 Fe2 P2 O8","formula_reduced":"LiFe2(PO4)2","formula_anonymous":"AB2C2D8","energy_above_hull":2.9501461538461538,"spacegroup":8},{"id":"jvasp-112160","created_at":"2022-09-04T14:38:43.707408Z","updated_at":"2022-09-04T14:38:43.707432Z","structure_string":"Hf1 H8 C6 O4\n1.0\n3.785697 -0.145322 -0.525944\n-1.443890 4.375311 -0.749995\n-0.856865 0.269221 9.764484\nHf H C O\n1 8 6 4\ndirect\n0.704136 0.815390 0.686867 Hf\n0.175984 0.364388 0.074008 H\n0.514454 0.187042 0.094061 H\n0.720758 0.890896 0.140179 H\n0.051868 0.704968 0.166242 H\n0.483132 0.207459 0.326333 H\n-0.009255 0.337515 0.373409 H\n0.000395 0.887542 0.397813 H\n0.498754 0.744593 0.343258 H\n0.471058 0.399254 0.068929 C\n0.763823 0.685082 0.174306 C\n0.751123 0.693506 0.329872 C\n0.745029 0.426340 0.543040 C\n0.744512 0.401305 0.386744 C\n0.467551 0.395310 0.914346 C\n0.681749 0.634009 0.880439 O\n0.681218 0.139321 0.581134 O\n0.111198 0.644416 0.636749 O\n0.259891 0.148386 0.824277 O\n","nsites":19,"nelements":4,"elements":["Hf","H","C","O"],"chemical_system":"C-H-Hf-O","density":3.377993559658202,"density_atomic":0.11980593528033272,"volume":158.58980571824,"volume_molar":5.026579648085759,"formula_full":"Hf1 H8 C6 O4","formula_reduced":"HfH8(C3O2)2","formula_anonymous":"AB4C6D8","energy_above_hull":4.733470368421053,"spacegroup":1},{"id":"jvasp-110900","created_at":"2022-09-04T14:38:48.644478Z","updated_at":"2022-09-04T14:38:48.644505Z","structure_string":"Th2 Mn4 Si2 C2\n1.0\n5.729012 0.066673 0.000000\n-4.389283 3.682420 0.000000\n0.000000 0.000000 6.758043\nTh Mn Si C\n2 4 2 2\ndirect\n0.556119 0.443881 0.250000 Th\n0.443881 0.556119 0.750000 Th\n0.834229 0.165770 0.071661 Mn\n0.165771 0.834230 0.928338 Mn\n0.165771 0.834230 0.571661 Mn\n0.834229 0.165770 0.428338 Mn\n0.272542 0.727458 0.250000 Si\n0.727458 0.272541 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":10,"nelements":4,"elements":["Th","Mn","Si","C"],"chemical_system":"C-Mn-Si-Th","density":8.776820311261359,"density_atomic":0.06918038654961646,"volume":144.54964042197074,"volume_molar":8.704982814284936,"formula_full":"Th2 Mn4 Si2 C2","formula_reduced":"ThMn2SiC","formula_anonymous":"ABCD2","energy_above_hull":4.377457736551724,"spacegroup":63},{"id":"jvasp-19151","created_at":"2022-09-04T14:38:35.535924Z","updated_at":"2022-09-04T14:38:35.535947Z","structure_string":"Y1 Cu3 Sb4 O12\n1.0\n6.453046 0.000003 -2.281628\n-3.226467 5.588550 -2.281474\n-0.000118 -0.000014 6.844553\nY Cu Sb O\n1 3 4 12\ndirect\n0.999997 0.999996 0.999995 Y\n0.499997 0.999997 0.500001 Cu\n0.500000 0.500000 0.999997 Cu\n0.000003 0.500004 0.500001 Cu\n0.500001 0.000002 0.000002 Sb\n1.000000 0.000000 0.499999 Sb\n0.000000 0.500000 -0.000000 Sb\n0.499999 0.499999 0.499999 Sb\n0.706456 0.539283 0.832819 O\n0.167183 0.293532 0.460710 O\n0.539241 0.832797 0.706426 O\n0.706459 0.873633 0.167175 O\n0.126375 0.832812 0.293572 O\n0.167181 0.706474 0.873649 O\n0.293547 0.460718 0.167179 O\n0.832817 0.706472 0.539293 O\n0.873623 0.167185 0.706429 O\n0.832821 0.293532 0.126353 O\n0.460759 0.167201 0.293578 O\n0.293541 0.126366 0.832823 O\n","nsites":20,"nelements":4,"elements":["Y","Cu","Sb","O"],"chemical_system":"Cu-O-Sb-Y","density":6.448668102399094,"density_atomic":0.08102593995084255,"volume":246.83453239954704,"volume_molar":7.432361492694264,"formula_full":"Y1 Cu3 Sb4 O12","formula_reduced":"YCu3(SbO3)4","formula_anonymous":"AB3C4D12","energy_above_hull":2.26774616,"spacegroup":204},{"id":"jvasp-112669","created_at":"2022-09-04T14:38:43.154395Z","updated_at":"2022-09-04T14:38:43.154424Z","structure_string":"Li1 Ce1 Mo2 O8\n1.0\n4.829343 -0.012713 -4.718226\n-0.864897 4.751280 -4.718226\n0.010636 0.012713 6.751599\nLi Ce Mo O\n1 1 2 8\ndirect\n0.750000 0.250000 0.499999 Li\n0.499999 0.500000 -0.000001 Ce\n0.250000 0.750000 0.499999 Mo\n0.000000 0.000000 0.000000 Mo\n0.402250 0.508287 0.585013 O\n0.923274 0.817236 0.414985 O\n0.066457 0.160843 0.397683 O\n0.763160 0.668774 0.602316 O\n0.839157 0.236839 0.905613 O\n0.331225 0.933543 0.094385 O\n0.182764 0.597750 0.106038 O\n0.491713 0.076726 0.893962 O\n","nsites":12,"nelements":4,"elements":["Li","Ce","Mo","O"],"chemical_system":"Ce-Li-Mo-O","density":4.988618834385225,"density_atomic":0.0772073500067981,"volume":155.42561684792187,"volume_molar":7.799957853066775,"formula_full":"Li1 Ce1 Mo2 O8","formula_reduced":"LiCe(MoO4)2","formula_anonymous":"ABC2D8","energy_above_hull":3.254357108333333,"spacegroup":82},{"id":"jvasp-112196","created_at":"2022-09-04T14:38:45.813416Z","updated_at":"2022-09-04T14:38:45.813427Z","structure_string":"Cd1 H14 C9 O4\n1.0\n4.019901 0.110565 0.402712\n0.895008 4.249393 0.273169\n-0.085899 0.083105 13.094470\nCd H C O\n1 14 9 4\ndirect\n0.960363 0.093518 0.813894 Cd\n0.548927 0.171730 0.451171 H\n0.224701 0.769371 0.169128 H\n0.661677 0.718288 0.126766 H\n0.403143 0.715105 0.362869 H\n0.832440 0.666244 0.313927 H\n0.970108 0.116009 0.395295 H\n0.030929 0.591384 0.489706 H\n0.207748 0.271967 0.084499 H\n0.645560 0.206396 0.046651 H\n0.358022 0.243746 0.268261 H\n0.790333 0.186311 0.222931 H\n0.403944 0.819866 0.547618 H\n0.402274 0.461027 0.619053 H\n0.011441 0.244826 0.565270 H\n0.325087 0.570972 0.961015 C\n0.415006 0.394601 0.062229 C\n0.461366 0.589461 0.150586 C\n0.560537 0.371320 0.245060 C\n0.859995 0.437161 0.518287 C\n0.750461 0.297731 0.425972 C\n0.565220 0.619682 0.588556 C\n0.675341 0.743007 0.681683 C\n0.632968 0.535628 0.337405 C\n0.110337 0.841502 0.963044 O\n0.936344 0.588205 0.725935 O\n0.510644 0.013307 0.714537 O\n0.450052 0.438584 0.877841 O\n","nsites":28,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.228912416338788,"density_atomic":0.12586030399409573,"volume":222.46887311914895,"volume_molar":4.784781673721769,"formula_full":"Cd1 H14 C9 O4","formula_reduced":"CdH14C9O4","formula_anonymous":"AB4C9D14","energy_above_hull":4.4795340625,"spacegroup":1},{"id":"jvasp-119517","created_at":"2022-09-04T14:38:34.684971Z","updated_at":"2022-09-04T14:38:34.684998Z","structure_string":"Mg2 Sc1 Cr3 S8\n1.0\n6.306080 0.002306 3.618247\n2.096415 5.947417 3.618185\n0.003164 0.002276 7.270419\nMg Sc Cr S\n2 1 3 8\ndirect\n0.875798 0.875791 0.875795 Mg\n0.124209 0.124202 0.124205 Mg\n0.499991 0.500004 0.500005 Sc\n0.500013 0.499984 0.999998 Cr\n-0.000001 0.500006 0.499992 Cr\n0.499994 0.000008 0.500011 Cr\n0.737138 0.737143 0.737147 S\n0.252771 0.252785 0.718043 S\n0.252790 0.718042 0.252770 S\n0.718044 0.252788 0.252777 S\n0.747224 0.281954 0.747212 S\n0.281957 0.747223 0.747225 S\n0.262853 0.262850 0.262870 S\n0.747220 0.747227 0.281956 S\n","nsites":14,"nelements":4,"elements":["Mg","Sc","Cr","S"],"chemical_system":"Cr-Mg-S-Sc","density":3.083441038618685,"density_atomic":0.0513689133652103,"volume":272.53837161137085,"volume_molar":11.723317402463309,"formula_full":"Mg2 Sc1 Cr3 S8","formula_reduced":"Mg2ScCr3S8","formula_anonymous":"AB2C3D8","energy_above_hull":2.596979682142858,"spacegroup":166},{"id":"jvasp-112226","created_at":"2022-09-04T14:38:47.094355Z","updated_at":"2022-09-04T14:38:47.094383Z","structure_string":"Sn2 H8 C4 Cl4\n1.0\n4.458785 0.009547 1.047205\n1.988753 5.688275 1.486717\n0.022947 0.106359 9.908167\nSn H C Cl\n2 8 4 4\ndirect\n0.986089 0.787787 0.268011 Sn\n0.015504 0.287552 0.767954 Sn\n0.644504 0.600999 0.585535 H\n0.775838 0.973836 0.950362 H\n0.225761 0.101490 0.085595 H\n0.357100 0.474298 0.450412 H\n0.127164 0.735853 0.523786 H\n0.670392 0.235604 0.023624 H\n0.331192 0.839719 0.012339 H\n0.874473 0.339435 0.512177 H\n0.883332 0.478754 0.559098 C\n0.118273 0.596550 0.476858 C\n0.865655 0.096350 0.976802 C\n0.135939 0.978978 0.059159 C\n0.213723 0.554205 0.837710 Cl\n0.549920 0.020991 0.698243 Cl\n0.451664 0.054331 0.337721 Cl\n0.787883 0.521131 0.198245 Cl\n","nsites":18,"nelements":4,"elements":["Sn","H","C","Cl"],"chemical_system":"C-Cl-H-Sn","density":2.8859197262310152,"density_atomic":0.07185893186470153,"volume":250.4907814924249,"volume_molar":8.380504140165478,"formula_full":"Sn2 H8 C4 Cl4","formula_reduced":"SnH4(CCl)2","formula_anonymous":"AB2C2D4","energy_above_hull":2.983401092777778,"spacegroup":15},{"id":"jvasp-54616","created_at":"2022-09-04T14:38:34.699184Z","updated_at":"2022-09-04T14:38:34.699201Z","structure_string":"Nd2 Fe2 As2 O2\n1.0\n3.990141 0.000000 -0.000000\n0.000000 3.990141 0.000000\n0.000000 0.000000 8.385765\nNd Fe As O\n2 2 2 2\ndirect\n0.500000 0.000000 0.144330 Nd\n0.000000 0.500000 0.855670 Nd\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.355240 As\n0.500000 0.000000 0.644759 As\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n","nsites":8,"nelements":4,"elements":["Nd","Fe","As","O"],"chemical_system":"As-Fe-Nd-O","density":7.238771173847759,"density_atomic":0.059919863307409296,"volume":133.5116530382801,"volume_molar":10.050324596210055,"formula_full":"Nd2 Fe2 As2 O2","formula_reduced":"NdFeAsO","formula_anonymous":"ABCD","energy_above_hull":1.9803305625,"spacegroup":129},{"id":"jvasp-112041","created_at":"2022-09-04T14:38:43.131440Z","updated_at":"2022-09-04T14:38:43.131448Z","structure_string":"Sn1 H26 C14 O4\n1.0\n4.840366 0.063376 0.877390\n1.724636 7.341967 3.441067\n-0.000282 -0.055220 10.711415\nSn H C O\n1 26 14 4\ndirect\n0.577517 0.365438 0.175939 Sn\n0.407091 0.604168 0.624161 H\n0.751078 0.477488 0.346762 H\n0.569005 0.299171 0.440676 H\n0.785779 0.240315 0.975137 H\n0.432784 0.204036 0.033391 H\n0.537348 0.698780 0.714841 H\n0.366273 0.527177 0.355096 H\n0.527939 0.985141 0.504750 H\n0.191159 0.936880 0.563066 H\n0.271059 0.797972 0.374668 H\n0.561288 0.905566 0.309169 H\n0.823468 0.287808 0.582279 H\n0.476900 0.426800 0.922053 H\n0.212460 0.397160 0.626649 H\n0.234623 0.070360 0.708777 H\n0.503267 0.040314 0.897083 H\n0.530776 0.820714 0.902718 H\n0.590885 0.798446 0.127522 H\n0.068739 0.084350 0.864447 H\n0.871752 0.913375 0.068637 H\n0.786725 0.967402 0.693322 H\n0.633783 0.304026 0.734538 H\n0.968842 0.721105 0.553844 H\n0.852260 0.620148 0.463575 H\n0.997772 0.439177 0.766108 H\n0.046284 0.807750 0.806139 H\n0.770630 0.823919 0.050348 C\n-0.010520 0.433664 0.665472 C\n0.653929 0.909312 0.907200 C\n0.883776 0.937455 0.788218 C\n0.025185 0.091353 0.764787 C\n0.845384 0.623616 0.566045 C\n0.849176 0.281698 0.684194 C\n0.983996 0.643541 0.070763 C\n0.400081 0.890184 0.515792 C\n0.538634 0.697175 0.612040 C\n0.151351 0.090005 0.302173 C\n0.566078 0.426807 0.351647 C\n0.567847 0.299691 0.004828 C\n0.356483 0.908503 0.370545 C\n0.915564 0.092596 0.265535 O\n0.910517 0.517402 0.054853 O\n0.234332 0.628017 0.098678 O\n0.214690 0.234808 0.290254 O\n","nsites":45,"nelements":4,"elements":["Sn","H","C","O"],"chemical_system":"C-H-O-Sn","density":1.6462901814776498,"density_atomic":0.11831911656234972,"volume":380.3273833293599,"volume_molar":5.089744527315296,"formula_full":"Sn1 H26 C14 O4","formula_reduced":"SnH26(C7O2)2","formula_anonymous":"AB4C14D26","energy_above_hull":4.660742348888888,"spacegroup":1}]}